You are here: EPA Home Prevention, Pesticides & Toxic Substances Po llution Prevention & Toxics High Production Volume (HPV) Challenge High Production Vo lume Information System (HPVIS) Submission Report 

# Submission Report

Submission Information Submission ID : 25337954 Submission Name : EHPV Program Submission for TCK CAS # 145556-04-3 AR Number : 

## Chemical Information CAS Number : 145556- 04-3 Ninth Collective Index Name : 3-Pentanone, 1,2,4-trichloro2-methylSupporting Chemicals : (22591-21-5) 2-Butanone, 1,1-dichloro-3,3-dimeth yl
## Submitter Information Submitter's Name : EXPONENT, INC. Address : 1800 Diagonal Road, Suite 500 City : Alexandria State : VA ZIP/Postal Code : 22314 Country : US Type of Submitter : Company 

## Technical Point of Contact Information Technical Point of Contact : Jane P. Staveley Title : Senior Managing Scientist Phone Number : 919-228-6480 Fax Number : E-Mail Address : jstaveley@exponent.com 

## Additional Technical Point of Contact Information Technical Point of Contact : Title : Phone Number : Fax Number : E-Mail Address : 

## Sponsor Information Sponsor's Name : BASF Corp Address : 1609 Biddle Ave City : Wyandotte State : MI ZIP/Postal Code : 48192 Country : US 

# High Production Volume Information System (HPVIS) Page 1 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HPV)

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrintPhone Number : 734-324-6212 Fax Number : E-Mail Address : ralph.parod@basf.com Type of Sponsor : Company 

## Technical Point of Contact Information Technical Point of Contact : Ralph Parod Title : Senior Toxicologist Phone Number : Fax Number : E-Mail Address : 

# Page 2 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HPV)

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrint

## Melting Point
CAS Number : 145556-04-3
Sponsored Chemical Name : 3-Pentanone, 1,2,4-trichloro-2-methyl

### Test Substance - Melting Point Test Substance: (145556-04-3) 3-Pentanone, 1,2,4-trichloro-2-methyl Test Substance Purity/Composition and Other Test Substance Comments: 3-Pentanone, 1,2,4-trichloro-2-methyl-, CAS# 145556

- 04-3

Sponsored Chemical Result Type: Test Substance Result Type: Estimated 

### Results - Melting Point Melting Indicator:
Melting Point Value/Range (Temperature): circa 13 °C

Results Remarks: MPBPVP (v1.43) Program Results:

=============================== Experimental Database Structure Match: no data
SMILES : O=C(C(CL)(CCL)C)C(CL)C CHEM : MOL FOR: C6 H9 CL3 O1 MOL WT : 203.50 ------------------------ SUMMARY MPBVP v1.43 ------

--

------------

Boiling Point: 220.20 deg C (Adapted Stein and Bro wn Method) Melting Point: 11.33 deg C (Adapted Joback Method ) Melting Point: 14.92 deg C (Gold and Ogle Method) Mean Melt Pt : 13.12 deg C (Joback; Gold,Ogle Methods) Selected MP: 13.12 deg C (Mean Value)



### Study/Method - Melting Point Key Study Sponsor Indicator: Year Study Performed: 2011
Method/Guideline Followed: Method/Guideline and Test Condition Remarks: The melting temperature was estimated by MPBPWIN v1.43 in EPIWIN v4.00. Measured values for melting point and water solubility were entered. For all other input parameters, the default values in EPIWI N were used. GLP: Not Applicable 

# Page 3 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HPV)

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrintStudy Reference: EPI Suite v4.00, U.S. Environmental Protection Agency, 2000-2008. 

### Reliability/Data Quality - Melting Point Reliability: 2 - Valid With Restrictions
Reliability Remarks: Scientifically acceptable method of calculation 

# Page 4 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HPV)

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrint

## Melting Point
CAS Number : 145556-04-3
Sponsored Chemical Name : 3-Pentanone, 1,2,4-trichloro-2-methyl

### Test Substance - Melting Point Test Substance: (22591-21-5) 2-Butanone, 1,1-dichloro-3,3-dimethylTest Substance Purity/Composition and Other Test Substance Comments: Sponsored Chemical Result Type: Test Substance Result Type: 

### Results - Melting Point Melting Indicator:
Melting Point Value/Range (Temperature): = 50 °C

Results Remarks: 

### Study/Method - Melting Point Key Study Sponsor Indicator: Year Study Performed:

Method/Guideline Followed: Method/Guideline and Test Condition Remarks: GLP:
Study Reference: TCI America Product Details, online catalog, 2008.



### Reliability/Data Quality - Melting Point Reliability: 4 - Not Assignable
Reliability Remarks: 

# Page 5 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HPV)

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrint

## Melting Point
CAS Number : 145556-04-3
Sponsored Chemical Name : 3-Pentanone, 1,2,4-trichloro-2-methyl

### Test Substance - Melting Point Test Substance: (22591-21-5) 2-Butanone, 1,1-dichloro-3,3-dimethylTest Substance Purity/Composition and Other Test Substance Comments: 1,1-dichloro-3,3-dimethylbutan-2-one

Sponsored Chemical Result Type: See Test Plan and Category Analysis

Test Substance Result Type: Estimated 

### Results - Melting Point Melting Indicator:
Melting Point Value/Range (Temperature): circa -14.3 °C

Results Remarks: MPBPVP (v1.43) Program Results:

=============================== Experimental Database Structure Match: no data
SMILES : O=C(C(C)(C)C)(C(CL)CL) CHEM : MOL FOR: C6 H10 CL2 O1 MOL WT : 169.05 ------------------------ SUMMARY MPBVP v1.43 ------

--

------------

Boiling Point: 177.66 deg C (Adapted Stein and Bro wn Method) Melting Point: -18.59 deg C (Adapted Joback Method ) Melting Point: -9.93 deg C (Gold and Ogle Method) Mean Melt Pt : -14.26 deg C (Joback; Gold,Ogle Methods) Selected MP: -14.26 deg C (Mean Value) 

### Study/Method - Melting Point Key Study Sponsor Indicator: Year Study Performed: 2011
Method/Guideline Followed: Method/Guideline and Test Condition Remarks: The melting temperature was estimated by MPBPWIN v1.43, found in EPIWIN v4.00. All input parameters were the default values found in EPIWIN. GLP: Not Applicable
Study Reference: EPISuite v4.00, US Environmental Protection Agency, 2000-2008 

# Page 6 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HPV)

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrint

### Reliability/Data Quality - Melting Point Reliability: 2 - Valid With Restrictions
Reliability Remarks: Scientifically acceptable method of calculation 

# Page 7 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HPV)

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrint

## Boiling Point
CAS Number : 145556-04-3
Sponsored Chemical Name : 3-Pentanone, 1,2,4-trichloro-2-methyl

### Test Substance - Boiling Point Test Substance: (145556-04-3) 3-Pentanone, 1,2,4-trichloro-2-methyl Test Substance Purity/Composition and Other Test Substance Comments: 1,2,4-Trichloro-2-Methyl-3-Pentanone (TCK), CAS No. 145556-04-3. Batch #B1112B01TCK, 90.49%

Sponsored Chemical Result Type: Measured

Test Substance Result Type: Measured 

### Results - Boiling Point Boiling Indicator: Boils
Boiling Point Value/Range (Temperature): 190 - 195 °C

Results Remarks: The boiling point was found to be 190~195 deg C. 

### Study/Method - Boiling Point Key Study Sponsor Indicator: Key
Year Study Performed: 2009
Method/Guideline Followed: OECD 103
Method/Guideline and Test Condition Remarks: The boiling point for 1,2,4-trichloro-2-methyl-3- pentanone (TCK)was determined using OECD Guideline for the Testing of Chemicals #103 using the Distillation Method and US EPA Guideline OPPTS 830.7220. Two distillations were conducted. The test was conducted by weighing about 60 g (accurate to 0.01 g) of TCK into a 100 mL round bottom flask equipped with a magnetic stirring bar. A distillation head, a thermometer, a condenser, and a 100 mL receiving flask were connected to the distillation flask to form a standard distillation setup. Tap water ran through the condenser as a cooling medium, and heat was applied through the heating mantle with a variac to bring the liquid to boil over the distillation head at a controlled rate. Distillate was collected unti l all the liquid in the distillation flask was vaporized, at which point the overhead temperature would start to drop and continue to drop. The distillation was stopped by removing the heating mantle. The receiving flask and the distillation flask were weighed when they were empty and after t he distillation to calculate how much was distilled. The boiling point/boiling range wasrecorded as the duration of vapor recondensation. The starting material and distilled 

# Page 8 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HPV)

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrintproduct are characterized by GC to confirm that the y are the same. GLP: No
Study Reference: Ji, J. 2009. Determination of boiling point/boilin g range of 1,2,4-trichloro-2-methyl-3-pentanone (TCK) , CAS# 145556-04-3, by OECD Guideline for the Testing of Chemicals #103. BASF DocID 2008/7019374. BASF Beaumont Plant, 14385 W. Port Arthur Rd., Beaumont, TX 77705. 

### Reliability/Data Quality - Boiling Point Reliability: 1 - Valid Without Restrictions
Reliability Remarks: Study was performed according to an accepted guideline. 

# Page 9 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HPV)

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrint

## Boiling Point
CAS Number : 145556-04-3
Sponsored Chemical Name : 3-Pentanone, 1,2,4-trichloro-2-methyl

### Test Substance - Boiling Point Test Substance: (22591-21-5) 2-Butanone, 1,1-dichloro-3,3-dimethylTest Substance Purity/Composition and Other Test Substance Comments: 1,1-dichloro-3,3-dimethylbutan-2-one

Sponsored Chemical Result Type: See Test Plan and Category Analysis

Test Substance Result Type: Estimated 

### Results - Boiling Point Boiling Indicator:
Boiling Point Value/Range (Temperature): circa 177.7 °C

Results Remarks: MPBPVP (v1.43) Program Results:

=============================== Experimental Database Structure Match: no data
SMILES : O=C(C(C)(C)C)(C(CL)CL) CHEM : MOL FOR: C6 H10 CL2 O1 MOL WT : 169.05 ------------------------ SUMMARY MPBVP v1.43 ------

--

------------

Boiling Point: 177.66 deg C (Adapted Stein and Bro wn Method) Melting Point: -18.59 deg C (Adapted Joback Method ) Melting Point: -9.93 deg C (Gold and Ogle Method) Mean Melt Pt : -14.26 deg C (Joback; Gold,Ogle Methods) Selected MP: -14.26 deg C (Mean Value) 

### Study/Method - Boiling Point Key Study Sponsor Indicator: Year Study Performed: 2011
Method/Guideline Followed: Method/Guideline and Test Condition Remarks: The boiling temperature was estimated by MPBPWIN v1.43, found in EPIWIN v4.00. All input parameters were the default values found in EPIWIN. GLP: Not Applicable
Study Reference: EPISuite v4.00, US Environmental Protection Agency, 2000-2008 

# Page 10 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrint

### Reliability/Data Quality - Boiling Point Reliability: 2 - Valid With Restrictions
Reliability Remarks: Scientifically acceptable method of calculation 

# Page 11 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrint

## Boiling Point
CAS Number : 145556-04-3
Sponsored Chemical Name : 3-Pentanone, 1,2,4-trichloro-2-methyl

### Test Substance - Boiling Point Test Substance: (22591-21-5) 2-Butanone, 1,1-dichloro-3,3-dimethylTest Substance Purity/Composition and Other Test Substance Comments: Sponsored Chemical Result Type: Test Substance Result Type: 

### Results - Boiling Point Boiling Indicator:
Boiling Point Value/Range (Temperature): = 178 °C

Results Remarks: 

### Study/Method - Boiling Point Key Study Sponsor Indicator: Year Study Performed:

Method/Guideline Followed: Method/Guideline and Test Condition Remarks: GLP:
Study Reference: TCI America Product Details, online catalog, 2008.



### Reliability/Data Quality - Boiling Point Reliability: 4 - Not Assignable
Reliability Remarks: 

# Page 12 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrint

## Vapor Pressure
CAS Number : 145556-04-3
Sponsored Chemical Name : 3-Pentanone, 1,2,4-trichloro-2-methyl

### Test Substance - Vapor Pressure Test Substance: (22591-21-5) 2-Butanone, 1,1-dichloro-3,3-dimethylTest Substance Purity/Composition and Other Test Substance Comments: 1,1-dichloro-3,3-dimethylbutan-2-one

Sponsored Chemical Result Type: See Test Plan and Category Analysis

Test Substance Result Type: Estimated 

### Results - Vapor Pressure Vapor Pressure Value/Range (Pressure): circa 1.44 hPa @ Temperature: 25 °C

Results Remarks: MPBPVP (v1.43) Program Results:

=============================== Experimental Database Structure Match: no data
SMILES : O=C(C(C)(C)C)(C(CL)CL) CHEM : MOL FOR: C6 H10 CL2 O1 MOL WT : 169.05 ------------------------ SUMMARY MPBVP v1.43 ------

--

------------

Boiling Point: 177.66 deg C (Adapted Stein and Bro wn Method) Melting Point: -18.59 deg C (Adapted Joback Method ) Melting Point: -9.93 deg C (Gold and Ogle Method) Mean Melt Pt : -14.26 deg C (Joback; Gold,Ogle Methods) Selected MP: -14.26 deg C (Mean Value) Vapor Pressure Estimations (25 deg C): (Using BP: 177.66 deg C (estimated)) (MP not used for liquids) VP: 1.18 mm Hg (Antoine Method) : 157 Pa (Antoine Method) VP: 0.983 mm Hg (Modified Grain Method) : 131 Pa (Modified Grain Method) VP: 1.52 mm Hg (Mackay Method) : 203 Pa (Mackay Method) Selected VP: 1.08 mm Hg (Mean of Antoine & Grain methods) : 144 Pa (Mean of Antoine & Grain methods)



### Study/Method - Vapor Pressure Key Study Sponsor Indicator: Year Study Performed: 2011
Method/Guideline Followed: 

# Page 13 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrintMethod/Guideline and Test Condition Remarks: The vapor pressure was estimated by MPBPWIN v1.43, found in EPIWIN v4.00. All input parameters were th e default values found in EPIWIN. GLP: Not Applicable
Study Reference: EPISuite v4.00, US Environmental Protection Agency, 2000-2008 

### Reliability/Data Quality - Vapor Pressure Reliability: 2 - Valid With Restrictions
Reliability Remarks: Scientifically acceptable method of calculation 

# Page 14 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrint

## Vapor Pressure
CAS Number : 145556-04-3
Sponsored Chemical Name : 3-Pentanone, 1,2,4-trichloro-2-methyl

### Test Substance - Vapor Pressure Test Substance: (145556-04-3) 3-Pentanone, 1,2,4-trichloro-2-methyl Test Substance Purity/Composition and Other Test Substance Comments: 3-Pentanone, 1,2,4-trichloro-2-methyl-, CAS# 145556

- 04-3.

Sponsored Chemical Result Type: Test Substance Result Type: Estimated 

### Results - Vapor Pressure Vapor Pressure Value/Range (Pressure): circa 0.681 hPa

Results Remarks: MPBPVP (v1.43) Program Results:

=============================== Experimental Database Structure Match: no data
SMILES : O=C(C(CL)(CCL)C)C(CL)C CHEM : MOL FOR: C6 H9 CL3 O1 MOL WT : 203.50 ------------------------ SUMMARY MPBVP v1.43 ------

--

------------

Boiling Point: 220.20 deg C (Adapted Stein and Bro wn Method) Melting Point: 11.33 deg C (Adapted Joback Method ) Melting Point: 14.92 deg C (Gold and Ogle Method) Mean Melt Pt : 13.12 deg C (Joback; Gold,Ogle Methods) Selected MP: 13.12 deg C (Mean Value) Vapor Pressure Estimations (25 deg C): (Using BP: 193.00 deg C (user entered)) (MP not used for liquids) VP: 0.556 mm Hg (Antoine Method) : 74.1 Pa (Antoine Method) VP: 0.466 mm Hg (Modified Grain Method) : 62.1 Pa (Modified Grain Method) VP: 0.745 mm Hg (Mackay Method) : 99.3 Pa (Mackay Method) Selected VP: 0.511 mm Hg (Mean of Antoine & Grain methods) : 68.1 Pa (Mean of Antoine & Grain methods)



### Study/Method - Vapor Pressure Key Study Sponsor Indicator: Year Study Performed: 2011
Method/Guideline Followed: 

# Page 15 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrintMethod/Guideline and Test Condition Remarks: The vapor pressure was estimated using MPBPWIN v1.4 3 in EPIWIN v4.00. Measured data for boiling point an d water solubility were entered. For all other input parameters, the default values found in EPIWIN were used. GLP: Not Applicable
Study Reference: EPI Suite v4.00, U.S. Environmental Protection Agency, 2000-2008. 

### Reliability/Data Quality - Vapor Pressure Reliability: 2 - Valid With Restrictions
Reliability Remarks: Scientifically acceptable method of calculation. 

# Page 16 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrint

## Partition Coefficient
CAS Number : 145556-04-3
Sponsored Chemical Name : 3-Pentanone, 1,2,4-trichloro-2-methyl

### Test Substance - Partition Coefficient Test Substance: (22591-21-5) 2-Butanone, 1,1-dichloro-3,3-dimethylTest Substance Purity/Composition and Other Test Substance Comments: 1,1-dichloro-3,3-dimethylbutan-2-one

Sponsored Chemical Result Type: See Test Plan and Category Analysis

Test Substance Result Type: Estimated


### Results - Partition Coefficient Partition Coefficient Value/Range (Log K ow ): = 1.56

Results Remarks: KOWWIN Program (v1.67) Results:

=============================== Log Kow(version 1.67 estimate): 1.56
SMILES : O=C(C(C)(C)C)(C(CL)CL) CHEM : MOL FOR: C6 H10 CL2 O1 MOL WT : 169.05 -------+-----+-------------------------------------

-- -----+---------+-------- TYPE | NUM | LOGKOW FRAGMENT DESCRIPTION | COEFF | VALUE -------+-----+-------------------------------------

-- -----+---------+-------- Frag | 3 | -CH3 [aliphatic carbon] | 0.5473 | 1.6419 Frag | 1 | -CH [aliphatic carbon] | 0.3614 | 0.3614 Frag | 2 | -CL [chlorine, aliphatic attach] | 0.3102 | 0.6204 Frag | 1 | -C(=O)- [carbonyl, aliphatic attach] |-1.5586 | -1.5586 Frag | 1 | -tert Carbon [3 or more carbon attach] | 0.2676 | 0.2676 Const | | Equation Constant | | 0.229 0 -------+-----+-------------------------------------

-- -----+---------+-------- Log Kow = 1.5617



### Study/Method - Partition Coefficient Key Study Sponsor Indicator: Year Study Performed: 2011
Method/Guideline Followed: 

# Page 17 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrintMethod/Guideline and Test Condition Remarks: The partition coefficient was estimated by KOWWIN v1.67, found in EPIWIN v4.00. All input parameters were the default values found in EPIWIN. GLP: Not Applicable
Study Reference: EPISuite v4.00, US Environmental Protection Agency, 2000-2008 

### Reliability/Data Quality - Partition Coefficient Reliability: 2 - Valid With Restrictions
Reliability Remarks: Scientifically acceptable method of calculation 

# Page 18 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrint

## Partition Coefficient
CAS Number : 145556-04-3
Sponsored Chemical Name : 3-Pentanone, 1,2,4-trichloro-2-methyl

### Test Substance - Partition Coefficient Test Substance: (145556-04-3) 3-Pentanone, 1,2,4-trichloro-2-methyl Test Substance Purity/Composition and Other Test Substance Comments: 3-Pentanone, 1,2,4-trichloro-2-methyl-, CAS# 145556

- 04-3.

Sponsored Chemical Result Type: Test Substance Result Type: Estimated


### Results - Partition Coefficient Partition Coefficient Value/Range (Log K ow ): circa 1.816 @ Temperature: 25 °C

Results Remarks: KOWWIN Program (v1.67) Results:

=============================== Log Kow(version 1.67 estimate): 1.82
SMILES : O=C(C(CL)(CCL)C)C(CL)C CHEM : MOL FOR: C6 H9 CL3 O1 MOL WT : 203.50 -------+-----+-------------------------------------

-- -----+---------+-------- TYPE | NUM | LOGKOW FRAGMENT DESCRIPTION | COEFF | VALUE -------+-----+-------------------------------------

-- -----+---------+-------- Frag | 2 | -CH3 [aliphatic carbon] | 0.5473 | 1.0946 Frag | 1 | -CH2- [aliphatic carbon] | 0.4911 | 0.4911 Frag | 1 | -CH [aliphatic carbon] | 0.3614 | 0.3614 Frag | 3 | -CL [chlorine, aliphatic attach] | 0.3102 | 0.9306 Frag | 1 | -C(=O)- [carbonyl, aliphatic attach] |-1.5586 | -1.5586 Frag | 1 | -tert Carbon [3 or more carbon attach] | 0.2676 | 0.2676 Const | | Equation Constant | | 0.229 0 -------+-----+-------------------------------------

-- -----+---------+-------- Log Kow = 1.8157 

### Study/Method - Partition Coefficient Key Study Sponsor Indicator: Year Study Performed: 2011
Method/Guideline Followed: 

# Page 19 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrintMethod/Guideline and Test Condition Remarks: The partition coefficient was estimation using KOWW IN v1.67 in EPIWIN v4.00. Measured data for boiling point and water solubility were entered. For all other input parameters, the default values found in EPIWIN were used. GLP: Not Applicable
Study Reference: EPI Suite v4.00, U.S. Environmental Protection Agency, 2000-2008. 

### Reliability/Data Quality - Partition Coefficient Reliability: 2 - Valid With Restrictions
Reliability Remarks: Scientifically acceptable method of calculation. 

# Page 20 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrint

## Water Solubility
CAS Number : 145556-04-3
Sponsored Chemical Name : 3-Pentanone, 1,2,4-trichloro-2-methyl

### Test Substance - Water Solubility Test Substance: (22591-21-5) 2-Butanone, 1,1-dichloro-3,3-dimethylTest Substance Purity/Composition and Other Test Substance Comments: 1,1-dichloro-3,3-dimethylbutan-2-one

Sponsored Chemical Result Type: See Test Plan and Category Analysis

Test Substance Result Type: Estimated 

### Results - Water Solubility Water Solubility Indicator: Water Solubility Value/Range (Solubility): circa 2882 mg/L

pH Value:
pKa - Protein Kinase:
pH Value at Saturation: Results Remarks: Water Sol from Kow (WSKOW v1.41) Results:

======================================== Water Sol: 2882 mg/L
SMILES : O=C(C(C)(C)C)(C(CL)CL) CHEM : MOL FOR: C6 H10 CL2 O1 MOL WT : 169.05 ---------------------------------- WSKOW v1.41 Results ------------------------ Log Kow (estimated) : 1.56 Log Kow (experimental): not available from databas e Log Kow used by Water solubility estimates: 1.56 Equation Used to Make Water Sol estimate: Log S (mol/L) = 0.796 - 0.854 log Kow - 0.00728 MW + Correction (used when Melting Point NOT available)
Correction(s): Value

-------------------- ----- No Applicable Correction Factors Log Water Solubility (in moles/L) : -1.768 Water Solubility at 25 deg C (mg/L): 2882



### Study/Method - Water Solubility Key Study Sponsor Indicator: 

# Page 21 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrintYear Study Performed: 2011
Method/Guideline Followed: Method/Guideline and Test Condition Remarks: The water solubility was estimated by WSKOW v1.41, found in EPIWIN v4.00. All input parameters were th e default values found in EPIWIN. GLP: Not Applicable
Study Reference: EPISuite v4.00, US Environmental Protection Agency, 2000-2008. 

### Reliability/Data Quality - Water Solubility Reliability: 2 - Valid With Restrictions
Reliability Remarks: Scientifically acceptable method of calculation. 

# Page 22 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrint

## Water Solubility
CAS Number : 145556-04-3
Sponsored Chemical Name : 3-Pentanone, 1,2,4-trichloro-2-methyl

### Test Substance - Water Solubility Test Substance: (145556-04-3) 3-Pentanone, 1,2,4-trichloro-2-methyl Test Substance Purity/Composition and Other Test Substance Comments: 1,2,4-Trichloro-2-Methyl-3-Pentanone (TCK), Lot# 8316B01TCK, purity 97.22%

Sponsored Chemical Result Type: Measured

Test Substance Result Type: Measured 

### Results - Water Solubility Water Solubility Indicator: Water Solubility Value/Range (Solubility): = 136.81 mg/L @ Temperature: 22 °C

pH Value: Value/Lower Range: = 4.32
pKa - Protein Kinase:
pH Value at Saturation: Results Remarks: The water solubility determined in the preliminary test was 130.92 mg/L or 0.0131% at 22oC. The water solubility determined in the Flask Method was based upon an average of three measurements: 24 hr: 129.58 mg/L 36 hr: 139.84 mg/L 48 hr: 141.00 mg/L density of H20 at 22oC = 0.9978 g/mL Average Conc. (mg/L) = 136.81 Average Conc. (%) = 0.0137 The 24 hr sample prep pH = 4.32 

### Study/Method - Water Solubility Key Study Sponsor Indicator: Key
Year Study Performed: 2009
Method/Guideline Followed: OECD 105
Method/Guideline and Test Condition Remarks: The water solubility for 1,2,4-trichloro-2-methyl-3

- pentanone (TCK) was determined using the OECD Guideline for the Testing of Chemicals #105 Flask Method. A series of three measurements of TCK were taken. The test was conducted by accurately weighing 200 m g of TCK into each of three 100 mL volumetric flasks that were diluted to volume with deionized 

# Page 23 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrintwater. Each flask was placed on a magnetic stir. After 24 hours stirring, one flask was filtered for separating the undissolved TCK, the filtrate was extracted into dichloromethane, concentrated to 1 mL, diluted, and assayed using GC

FID analytical method ATM-3002.02. The other two flasks were treated similarly and tested at interva ls of 36 and 48 hours. All measurements were made at ambient temperature. The water solubility was calculated with average response factor of TCK of known concentrations using an external standard calculation. If the concentrations measured in at least the last two flasks do not differ by more tha n 15%, the test is satisfactory. GLP: No
Study Reference: Rachamalla, LR. 2009. Determination of water solubility of 1,2,4-trichloro-2-methyl-3-pentanone (TCK) by OECD guideline for the testing of chemical s #105 flask method. BASF DocID 2008/7019370. BASF Beaumont Plant, 14385 West Port Arthur Road, Beaumont, TX 77705. 

### Reliability/Data Quality - Water Solubility Reliability: 1 - Valid Without Restrictions
Reliability Remarks: Study was performed according to an accepted test guideline. 

# Page 24 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrint

## Solubility in Different Media
CAS Number : 145556-04-3
Sponsored Chemical Name : 3-Pentanone, 1,2,4-trichloro-2-methyl

### Test Substance - Solubility In Different Media Test Substance: (145556-04-3) 3-Pentanone, 1,2,4-trichloro-2-methyl Test Substance Purity/Composition and Other Test Substance Comments: 3-Pentanone, 1,2,4-trichloro-2-methyl-, CAS# 145556

- 04-3.

Sponsored Chemical Result Type: Test Substance Result Type: 

### Results - Solubility In Different Media Media Name: methanol, toluene
Solbility in Different Media Value/Range: Results Remarks: Soluble in methanol and toluene



### Study/Method - Solubility In Different Media Key Study Sponsor Indicator: Year Study Performed:

Method/Guideline Followed: Method/Guideline and Test Condition Remarks: GLP:
Study Reference: Material Safety Data Sheet. Sandoz Agro, Inc. 1300 East Touhy Ave. Des Plaines, IL 60018. Trichloro Ketone (TCK). Date Issued: November 1992. 

### Reliability/Data Quality - Solubility In Different Medi a Reliability: 4 - Not Assignable
Reliability Remarks: 

# Page 25 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrint

## Photodegradation
CAS Number : 145556-04-3
Sponsored Chemical Name : 3-Pentanone, 1,2,4-trichloro-2-methyl

### Test Substance - Photodegradation Test Substance: (145556-04-3) 3-Pentanone, 1,2,4-trichloro-2-methyl Test Substance Purity/Composition and Other Test Substance Comments: 3-Pentanone, 1,2,4-trichloro-2-methyl-, CAS# 145556

- 04-3.

Sponsored Chemical Result Type: Test Substance Result Type: Estimated 

### Results - Photodegradation Photodegradation Result Description: Indirect Photolysis
Photodegradation Value/Range: Half Life: = 6.777 Days

Rate Constant: = .0000000000015783 cm3/(molecule*sec)

Photo Medium: Air
Temperature:

Sensitizer: Hydroxy Radicals

Sensitizer Concentration and Units: 1500000 molecules/cm3

Light Source:
Light Source Spectrum: UV/VIS Absorption Spectrum: Quantum Yield:

Breakdown Products Description: Results Remarks: AOP Program (v1.92) Results:

=========================== SMILES : O=C(C(CL)(CCL)C)C(CL)C CHEM : MOL FOR: C6 H9 CL3 O1 MOL WT : 203.50 ------------------- SUMMARY (AOP v1.92): HYDROXYL RADICALS (25 deg C) -------- **Hydrogen Abstraction = 1.5783 E-12 cm3/molecule-sec Reaction with N, S and -OH = 0.0000 E-12 

# Page 26 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrintcm3/molecule-sec Addition to Triple Bonds = 0.0000 E-12 cm3/molecule-sec Addition to Olefinic Bonds = 0.0000 E-12 cm3/molecule-sec Addition to Aromatic Rings = 0.0000 E-12 cm3/molecule-sec Addition to Fused Rings = 0.0000 E-12 cm3/molecule-sec
OVERALL OH Rate Constant = 1.5783 E-12 cm3/molecu le
-sec HALF-LIFE = 6.777 Days (12-hr day; 1.5E6 OH/cm3 ) HALF-LIFE = 81.321 Hrs ........................ ** Designates Estimation( s) Using ASSUMED Value(s) ------------------- SUMMARY (AOP v1.91): OZONE REACTION (25 deg C) -----------

****** NO OZONE REACTION ESTIMATION ****** (ONLY Olefins and Acetylenes are Estimated) Experimental Database: NO Structure Matches Fraction sorbed to airborne particulates (phi): 2.8E-006 (Junge-Pankow, Mackay avg) 6.25E-006 (Koa method) Note: the sorbed fraction may be resistant to atmospheric oxidation



### Study/Method - Photodegradation Key Study Sponsor Indicator: Year Study Performed: 2011
Method/Guideline Followed: Deviations from Method/Guideline: Method/Guideline Description: Photodegradation was estimated using AOP v1.92 in EPIWIN v4.00. Measured data for boiling point and water solubility were entered. For all other input parameters, the default values found in EPIWIN were used. Method/Guideline and Test Condition Remarks: GLP: Not Applicable
Study Reference: EPI Suite v4.00, U.S. Environmental Protection Agency, 2000-2008. 

### Reliability/Data Quality - Photodegradation Reliability: 2 - Valid With Restrictions
Reliability Remarks: Scientifically acceptable method of calculation. 

# Page 27 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrint

## Photodegradation
CAS Number : 145556-04-3
Sponsored Chemical Name : 3-Pentanone, 1,2,4-trichloro-2-methyl

### Test Substance - Photodegradation Test Substance: (22591-21-5) 2-Butanone, 1,1-dichloro-3,3-dimethylTest Substance Purity/Composition and Other Test Substance Comments: 1,1-dichloro-3,3-dimethylbutan-2-one

Sponsored Chemical Result Type: See Test Plan and Category Analysis

Test Substance Result Type: Estimated 

### Results - Photodegradation Photodegradation Result Description: Indirect Photolysis
Photodegradation Value/Range: Half Life: = 5.938 Days

Rate Constant: = .0000000000018013 cm3/(molecule*sec)

Photo Medium: Air
Temperature:

Sensitizer: Hydroxy Radicals

Sensitizer Concentration and Units: 1500000 molecules/cm3

Light Source:
Light Source Spectrum: UV/VIS Absorption Spectrum: Quantum Yield:

Breakdown Products Description: Results Remarks: AOP Program (v1.92) Results:

=========================== SMILES : O=C(C(C)(C)C)(C(CL)CL) CHEM : MOL FOR: C6 H10 CL2 O1 MOL WT : 169.05 ------------------- SUMMARY (AOP v1.92): HYDROXYL RADICALS (25 deg C) -------- Hydrogen Abstraction = 1.8013 E-12 cm3/molecule-sec Reaction with N, S and -OH = 0.0000 E-12 

# Page 28 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrintcm3/molecule-sec Addition to Triple Bonds = 0.0000 E-12 cm3/molecule-sec Addition to Olefinic Bonds = 0.0000 E-12 cm3/molecule-sec Addition to Aromatic Rings = 0.0000 E-12 cm3/molecule-sec Addition to Fused Rings = 0.0000 E-12 cm3/molecule-sec
OVERALL OH Rate Constant = 1.8013 E-12 cm3/molecu le
-sec HALF-LIFE = 5.938 Days (12-hr day; 1.5E6 OH/cm3 ) HALF-LIFE = 71.255 Hrs ------------------- SUMMARY (AOP v1.91): OZONE REACTION (25 deg C) -----------

****** NO OZONE REACTION ESTIMATION ****** (ONLY Olefins and Acetylenes are Estimated) Experimental Database: NO Structure Matches Fraction sorbed to airborne particulates (phi): 1.33E-006 (Junge-Pankow, Mackay avg) 1.21E-006 (Koa method) Note: the sorbed fraction may be resistant to atmospheric oxidation



### Study/Method - Photodegradation Key Study Sponsor Indicator: Year Study Performed: 2011
Method/Guideline Followed: Deviations from Method/Guideline: Method/Guideline Description: Photodegradation was estimated by AOPWIN v1.92, found in EPIWIN v4.00. All input parameters used in the calculation were the default values found in EPIWIN

. Method/Guideline and Test Condition Remarks: GLP: Not Applicable
Study Reference: EPISuite v4.00, US Environmental Protection Agency, 2000-2008. 

### Reliability/Data Quality - Photodegradation Reliability: 2 - Valid With Restrictions
Reliability Remarks: Scientifically acceptable method of calculation. 

# Page 29 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrint

## Transport Between Environmental Compartments Fugacity/Dist
CAS Number : 145556-04-3
Sponsored Chemical Name : 3-Pentanone, 1,2,4-trichloro-2-methyl

### Test Substance - Transport Between Environmental Comp artments Fugacity/Dist Test Substance: (22591-21-5) 2-Butanone, 1,1-dichloro-3,3-dimethylTest Substance Purity/Composition and Other Test Substance Comments: 1,1-dichloro-3,3-dimethylbutan-2-one

Sponsored Chemical Result Type: See Test Plan and Category Analysis

Test Substance Result Type: Estimated 

### Results - Transport Between Environmental Compartments Fugacity/Dist Fugacity/Distribution Result Description: Multimedia (Fugacity) Modeling

Test Results: Level III Fugacity Model (Full-Output):

======================================= Chem Name : Molecular Wt: 169.05 Henry's LC : 1.44e-005 atm-m3/mole (Henrywin progr am) Vapor Press : 1.08 mm Hg (Mpbpwin program) Log Kow : 1.56 (Kowwin program) Soil Koc : 30.2 (KOCWIN MCI method)

Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 3.1 143 1000 Water 33.3 1.44e+003 1000 Soil 63.5 2.88e+003 1000 Sediment 0.114 1.3e+004 0 Fugacity Reaction Advection Reaction Adv ection (atm) (kg/hr) (kg/hr) (percent) (per cent) Air 1.22e-010 409 841 13.6 28 Water 3.84e-010 434 902 14.5 30.1 Soil 7.95e-009 414 0 13.8 0 Sediment 3.8e-010 0.165 0.0615 0.00 548 0.00205

Persistence Time: 903 hr Reaction Time: 2.16e+003 hr Advection Time: 1.55e+003 hr Percent Reacted: 41.9 Percent Advected: 58.1 Half-Lives (hr), (based upon Biowin (Ultimate) and Aopwin): Air: 142.5 Water: 1440 Soil: 2880 Sediment: 1.296e+004 Biowin estimate: 2.245 (months ) 

# Page 30 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrintAdvection Times (hr): Air: 100 Water: 1000 Sediment: 5e+004

Transport Table: Emissions (kg/h) Half-life

(hr) Mass Distribution (percent) Loss by

Reaction (percent) Loss by

Advection (percent) Air 1000 143 3.1 13.6 28 Water 1000 1440 33.3 14.5 30.1 Soil 1000 2880 63.5 13.8 0 Sediment 1.3e+004 0.114 0.0548 0.00205 Temperature:

Level of Multi-media Model: III
Model Input (Water Solubility): Model Input (Vapor Pressure): Model Input (log K ow ): Model Input (Melting Point): Henry's Law Constant: Model Concentration -- Air: Model Concentration -- Water: Model Concentration -- Soil: Model Concentration -- Sediment: Results Remarks: 

### Study/Method - Transport Between Environmental Compart ments Fugacity/Dist Key Study Sponsor Indicator: Year Study Performed: 2011
Method/Guideline Followed: Deviations from Method/Guideline: Method/Guideline Description: Fugacity was determined using EQC Level III model as found in EPIWIN v4.00. Equal emission to air, soil, and water were assumed. All parameters used in the calculations were the defaul t values found in EPIWIN. 

# Page 31 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrintMethod/Guideline and Test Condition Remarks: GLP: Not Applicable
Study Reference: EPISuite v4.00, US Environmental Protection Agency, 2000- 2008. 

### Reliability/Data Quality - Transport Between Environmen tal

Compartments Fugacity/Dist Reliability: 2 - Valid With Restrictions
Reliability Remarks: Scientifically acceptable method of calculation. 

# Page 32 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrint

## Transport Between Environmental Compartments Fugacity/Dist
CAS Number : 145556-04-3
Sponsored Chemical Name : 3-Pentanone, 1,2,4-trichloro-2-methyl

### Test Substance - Transport Between Environmental Compar tments Fugacity/Dist Test Substance: (145556-04-3) 3-Pentanone, 1,2,4-trichloro-2-methyl Test Substance Purity/Composition and Other Test Substance Comments: 3-Pentanone, 1,2,4-trichloro-2-methyl-, CAS# 145556 -04-3.

Sponsored Chemical Result Type: Test Substance Result Type: Estimated 

### Results - Transport Between Environmental Compartment s Fugacity/Dist Fugacity/Distribution Result Description: Multimedia (Fugacity) Modeling

Test Results: Level III Fugacity Model (Full-Output):

======================================= Chem Name : Molecular Wt: 203.5 Henry's LC : 5.07e-006 atm-m3/mole (Henrywin progr am) Vapor Press : 0.511 mm Hg (Mpbpwin program) Log Kow : 1.82 (Kowwin program) Soil Koc : 59.2 (KOCWIN MCI method)

Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.19 163 1000 Water 26.6 1.44e+003 1000 Soil 71.1 2.88e+003 1000 Sediment 0.129 1.3e+004 0 Fugacity Reaction Advection Reaction Adv ection (atm) (kg/hr) (kg/hr) (percent) (per cent) Air 8.99e-011 319 749 10.6 25 Water 1.13e-010 438 909 14.6 30.3 Soil 1.96e-009 585 0 19.5 0 Sediment 1.14e-010 0.237 0.0886 0.00 789 0.00295

Persistence Time: 1.14e+003 hr Reaction Time: 2.55e+003 hr Advection Time: 2.06e+003 hr Percent Reacted: 44.7 Percent Advected: 55.3 Half-Lives (hr), (based upon Biowin (Ultimate) and Aopwin): Air: 162.6 Water: 1440 Soil: 2880 Sediment: 1.296e+004 Biowin estimate: 1.995 (months )
Advection Times (hr): 

# Page 33 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrintAir: 100 Water: 1000 Sediment: 5e+004

Transport Table: Emissions (kg/h) Half-life

(hr) Mass

Distribution (percent) Loss by

Reaction (percent) Loss by

Advection (percent) Air 1000 163 2.19 10.6 25 Water 1000 1.44e+003 26.6 14.6 30.3 Soil 1000 2.88e+003 71.1 19.9 0 Sediment 1.3e+004 0.129 0.00789 0.00295 Temperature:

Level of Multi-media Model: III
Model Input (Water Solubility): Model Input (Vapor Pressure): Model Input (log K ow ): Model Input (Melting Point): Henry's Law Constant: Model Concentration -- Air: Model Concentration -- Water: Model Concentration -- Soil: Model Concentration -- Sediment: Results Remarks: 

### Study/Method - Transport Between Environmental Compartments Fugacity/Dist Key Study Sponsor Indicator: Year Study Performed: 2011
Method/Guideline Followed: Deviations from Method/Guideline: Method/Guideline Description: Fugacity was determined using the EQC Level III mod el as found in EPIWIN v4.00. Equal emissions to air, wate r, and soil were assumed. Measured data for boiling point and water solubility were entered. For all other input parameters, the default values found in EPIWIN were used. Method/Guideline and Test Condition Remarks: 

# Page 34 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrintGLP: Not Applicable
Study Reference: EPI Suite v4.00, U.S. Environmental Protection Agen cy, 2000 -2008. 

### Reliability/Data Quality - Transport Between Environment al

Compartments Fugacity/Dist Reliability: 2 - Valid With Restrictions
Reliability Remarks: Scientifically acceptable method of calculation. 

# Page 35 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrint

## Biodegradation
CAS Number : 145556-04-3
Sponsored Chemical Name : 3-Pentanone, 1,2,4-trichloro-2-methyl

### Test Substance - Biodegradation Test Substance: (22591-21-5) 2-Butanone, 1,1-dichloro-3,3-dimethylTest Substance Purity/Composition and Other Test Substance Comments: 1,1-dichloro-3,3-dimethylbutan-2-one

Sponsored Chemical Result Type: See Test Plan and Category Analysis

Test Substance Result Type: Estimated 

### Results - Biodegradation Biodegradability Indicator: Effect : Concentration Value Time

in Days Biodegradation

Value Biodegradation

Value Range

Half Life:

Rate Constant:
Temperature:

Incubation Condition:

Inoculum Type:

Inoculum Concentration: Inoculum Remarks:
Pre-Exposure Indicator: Pre-Exposure Remarks: Theoretical Carbon DiOxide: 

# Page 36 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrintTheoretical Oxygen Demand: Chemical Oxygen Demand: Control Substance Remarks: Breakdown Products Description: Results Remarks: BIOWIN v4.10 estimates that 1,1-dichloro-3,3- dimethylbutan-2-one will not readily biodegrade, with primary biodegradation occurring in weeks and ultimate biodegradation in months. 

### Study/Method - Biodegradation Key Study Sponsor Indicator: Year Study Performed: 2011
Method/Guideline Followed: Deviations from Method/Guideline: Method/Guideline Description: Biodegradation was estimated by BIOWIN v4.10, found in EPIWIN v4.00. All parameters used in the calculation were the default values in EPIWIN. Method/Guideline and Test Condition Remarks: GLP: Not Applicable
Study Reference: EPISuite v4.00, US Environmental Protection Agency, 2000-2008. 

### Reliability/Data Quality - Biodegradation Reliability: 2 - Valid With Restrictions
Reliability Remarks: Scientifically acceptable method of calculation. 

# Page 37 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrint

## Biodegradation
CAS Number : 145556-04-3
Sponsored Chemical Name : 3-Pentanone, 1,2,4-trichloro-2-methyl

### Test Substance - Biodegradation Test Substance: (145556-04-3) 3-Pentanone, 1,2,4-trichloro-2-methyl Test Substance Purity/Composition and Other Test Substance Comments: 1,2,4-Trichloro-2-Methyl-3-Pentanone (TCK), Batch I D B1112B01TCK, CAS No. 145556-04-3, purity 90.6 cor area %. Sponsored Chemical Result Type: Measured

Test Substance Result Type: Measured 

### Results - Biodegradation Biodegradability Indicator: No Degradation Observed

Effect : Concentration Value Time

in Days Biodegradation

Value Biodegradation

Value Range 28 = 1 % Degradation

Half Life:

Rate Constant:
Temperature: 22 °C

Incubation Condition: Aerobic

Inoculum Type: Activated Sludge

Inoculum Concentration: 4 mg/L

Inoculum Remarks: Municipal activated sludge from the wastewater treatment plant of Mannheim, Germany was collected from the aeration tank of the plant. A suitable aliquot of the suspension was sieved by a finely woven mesh with a mesh size of about 1 mm. To redu ce the content of inorganic carbon in the blank contro l the activated sludge was aerated with carbon dioxid e free air for about 48 hours at 22 +/- 2 deg C. At the day of exposure the aeration was stopped and th e sludge was allowed to settle. The supernatant was discarded and the residue of the sludge suspension was filled up with tap water The sludge of the 

# Page 38 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrintsuspension was adjusted to a concentration of 800 mg/L of dry weight. Aliquots of 0.5 mL were added to the test vessels to obtain a sludge concentration o f 4 mg/L dry substance in the test assays. Pre-Exposure Indicator: Pre-Exposure Remarks: Theoretical Carbon DiOxide: Theoretical Oxygen Demand: Chemical Oxygen Demand: Control Substance Remarks: Aniline was the control substance

Breakdown Products Description: Results Remarks: The extent of biodegradation is expressed as a percentage of formed Total Inorganic Carbon (TIC) o f the Total Organic Carbon (TOC) based on the amount of test compound added initially. Biodegradation degree (% TIC/TOC): 1% +/- 2.8% after an exposure period of 28 days (mean value of five test assays, limit of confidence 95%) Reg. No. 395233 (Process-intermediate of BAS 656-PH , DMTA-P) was in this test poorly biodegradable.

Assessment in accordance to criteria of the OECD test guideline: The test substance was not readily biodegradable under the conditions of this test. Degradation degree of the reference substance was > 60% TIC/TOC after 14 days. It was 76% (mean value). Degradation degree in the inhibition control was > 25% TIC/TOC after 28 days. It was 45% (mean value). 

### Study/Method - Biodegradation Key Study Sponsor Indicator: Key
Year Study Performed: 2009
Method/Guideline Followed: OECD 310

Deviations from Method/Guideline: No
Method/Guideline Description: OECD 310, Ready Biodegradability - CO2 in sealed vessels (Headspace test). The CO2-headspace test is an aquatic batch test method to determine the aerobic biodegradability of a test substance in closed bottles by analysis of the evolved carbon dioxide (CO2).
The test compound, as the sole source of carbon and energy, is added to mineral salts medium inoculated with a mixed population of micro organisms and incubated in sealed vessels with a headspace of air. Biodegradation (mineralization to carbon dioxide) is determined by measuring the net increas e 

# Page 39 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrintin Total Inorganic Carbon (TIC) levels over time compared with blanks without test compound. The tes t generally run for 28 days. The extent of biodegradation is expressed as a percentage of formed TIC of the total organic carbon (TOC) based on the amount of the test compound added initially.

Method/Guideline and Test Condition Remarks: The test guideline recommends a test concentration of the test substance of 2-40 mg/L Total Organic Carbo n (TOC). Generally a test concentration of 20 mg/L T OC is used. The selected test concentration of 20 mg/ L TOC corresponds to approximately 33 mg/L test substance. It is anticipated that the selected tes t concentration causes no toxic effects to the microorganisms. The selected test concentration wa s tested in an additional inhibition control test ass ay and no toxic effects to the microorganisms were observed. The test was performed in 160 mL incubation bottles filled up to a volume of 100 mL. The oxygen available in the headspace of the bottles is used for the aerobic mineralization processes. The amount of oxygen allows complete biodegradation. The aqueous phase, a mineral medium with municipal inoculum, contains the test compound directly added by a suitable syringe. The bottles were closed with buty l rubber septa gas tight and shaken by an orbital shaker with a speed of about 150 r/min and incubate d at a temperature of 22 +/- 2 deg C. The pH value of the mineral medium was checked and adjusted to the required range of 7.4 +/- 0.2. The following test assays were prepared: 23 blank control assays, 25 test substance assays, 23 inhibition control test assays, 11 reference substance assays and 5 assays for abiotic control. At sampling day (days 4, 7, 14, 19, 23, 26 and 28), 3 bottles of each test assay were sacrificed. 1 mL 7 M sodium hydroxide solution was injected with a syringe through the septum in each test bottle and the bottles were shaken for about 1 hour. The CO2 in the headspace, evolved by biological processes, is dissolved in the alkaline solution. For the measurement at the end of the exposure, 5 test substance assays were prepared. The bottles were opened and the amount of TIC was determined with a carbon analyzer. The measured TIC-values were compared with the added amount of TOC and expressed as biodegradation degree and plotted by a biodegradation curve.

GLP: Yes
Study Reference: Schwarz, H. 2009. Report on Reg. no. 395233 (proces sintermediate of BAS 656-PH, DMTA- P), Determination of the Biodegradability in the CO2-Headspace Test. BAS F DocID 2009/1046772. Experimental Toxicology and Ecology, BASF SE, 67056 Ludwigshafen, Germany. Project No: 27G0716/083671. 

### Reliability/Data Quality - Biodegradation Reliability: 1 - Valid Without Restrictions 

# Page 40 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrintReliability Remarks: Well-documented study conducted according to accept ed guidelines and under GLP. 

# Page 41 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrint

## Acute Toxicity to Aquatic Vertebrates

CAS Number : 145556-04-3
Sponsored Chemical Name : 3-Pentanone, 1,2,4-trichloro-2-methyl

### Test Substance - Acute Toxicity To Aquatic Vertebrates Test Substance: (22591-21-5) 2-Butanone, 1,1-dichloro-3,3-dimethylTest Substance Purity/Composition and Other Test Substance Comments: 1,1-dichloro-3,3-dimethylbutan-2-one

Sponsored Chemical Result Type: See Test Plan and Category Analysis

Test Substance Result Type: Estimated 

### Method - Acute Toxicity To Aquatic Vertebrates Year Study Performed: 2011
Method/Guideline Followed: Other Method/Guideline: Deviations from Method/Guideline: Species:

GLP: Not Applicable
Analytical Monitoring: Test Type:

Test Vessel:
Water Media Type:

Test Concentrations: Nominal and Measured Concentrations: Exposure Period:

Vehicle Used:

Vehicle Name:

Vehicle Amount and Units: Alkalinity: 

# Page 42 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrintDissolved Oxygen:

pH Value:

Test Temperature and Units: Photo (Light/Dark): Salinity:

TOC:

Water Hardness:

Method/Guideline Test Conditions Remarks: Acute toxicity to fish was estimated by ECOSAR v1.0 0, found in EPIWIN v4.00. All parameters used in the calculatio n were the default values in EPIWIN. Limit Test: 

### Test Results - Acute Toxicity To Aquatic Vertebrates NOEC Exposure Duration:
NOEC:
LOEC Exposure Duration:
LOEC:
NOELR Exposure Duration:
NOELR:
LOELR Exposure Duration:
LOELR:
LC/EC Mean Value : Exposure Duration Exposure

Units LC/EC % Value Description Mean

Value or Lower Mean Value Upper

Mean Value Units Effect

Observed Basis for

Concentration

96 Hours LC 50 % circa 317 mg/L 

# Page 43 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrintResults Remarks: ECOSAR v1.00 Class(es) Found

------------------------------ Halo Ketones (0-1 free H) Predicted ECOSAR Class Organism Du ration End Pt mg/L (ppm)

=========================== ================== == ====== ====== ========== Halo Ketones (0-1 free H) : Fish 96 -hr LC50 316.651 Halo Ketones (0-1 free H) : Fish 14 -day LC50 317.916 Halo Ketones (0-1 free H) : Daphnid 48 -hr LC50 167.356 Halo Ketones (0-1 free H) : Green Algae 96 -hr EC50 65.672 Halo Ketones (0-1 free H) : Fish 30 -day ChV 32.035 Halo Ketones (0-1 free H) : Daphnid ChV 18.100 Halo Ketones (0-1 free H) : Green Algae ChV 23.326 Halo Ketones (0-1 free H) : Fish (SW) 96 -hr LC50 455.139 Halo Ketones (0-1 free H) : Mysid Shrimp 96 -hr LC50 431.684 Halo Ketones (0-1 free H) : Fish (SW) ChV 35.849 Halo Ketones (0-1 free H) : Mysid Shrimp (SW) ChV 42.489 Halo Ketones (0-1 free H) : Earthworm 14 -day LC50 326.341

=========================== ================== == ====== ====== ========== Neutral Organic SAR : Fish 96 -hr LC50 305.921 (Baseline Toxicity) : Daphnid 48 -hr LC50 167.417 : Green Algae 96-hr EC50 60.297 : Fish ChV 29.324 : Daphnid ChV 14.310 : Green Algae ChV 20.144 Note: * = asterisk designates: Chemical may not be soluble enough to measure this predicted effect.
Halo Ketones (0-1 free H):

------------------------- For Fish and Daphnid Acute Toxicity Values: If the log Kow of the chemical is greater than 5.0, or if the compound is solid an d the LC50 exceeds the water solubility by 10X, no effects at saturation a re predicted for these endpoints. For Green Algae Acute Toxicity Values: If the log K ow of the chemical is greater than 6.4, or if the compound is solid and t he EC50 exceeds the water solubility by 10X, no effects at saturation are pre dicted for these endpoints. For All Chronic Toxicity Values: If the log Kow of the chemical is greater than 8.0, or if the compound is solid and the ChV e xceeds the water solubility by 10X, no effects at saturation are predicted for these endpoints.

ECOSAR v1.00 SAR Limitations:

---------------------------- Maximum LogKow: 5.0 (LC50) Maximum LogKow: 6.4 (EC50) Maximum LogKow: 8.0 (ChV) Maximum Mol Wt: 1000 Baseline Toxicity SAR Limitations:

--------------------------------- Maximum LogKow: 5.0 (Fish 96-hr LC50; Daphnid LC50) Maximum LogKow: 6.4 (Green Algae EC50) Maximum LogKow: 8.0 (ChV) Maximum Mol Wt: 1000 

### Reliability/Data Quality - Acute Toxicity To Aquatic Ver tebrates Reliability: 2 - Valid With Restrictions
Reliability Remarks: Scientifically acceptable method of calculation.
Key Study Sponsor Indicator: 

### Reference - Acute Toxicity To Aquatic Vertebrates Reference: EPISuite v.400, US Environmental Protection Agency, 2000-2008. 

# Page 44 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrint

# Page 45 of 105

High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrint

## Acute Toxicity to Aquatic Vertebrates

CAS Number : 145556-04-3
Sponsored Chemical Name : 3-Pentanone, 1,2,4-trichloro-2-methyl

### Test Substance - Acute Toxicity To Aquatic Vertebrates Test Substance: (145556-04-3) 3-Pentanone, 1,2,4-trichloro-2-methyl Test Substance Purity/Composition and Other Test Substance Comments: 3-Pentanone, 1,2,4-trichloro-2-methyl-, CAS# 145556 -04-3.

Sponsored Chemical Result Type: Test Substance Result Type: Estimated 

### Method - Acute Toxicity To Aquatic Vertebrates Year Study Performed: 2011
Method/Guideline Followed: Other Method/Guideline: Deviations from Method/Guideline: Species:

GLP: Not Applicable
Analytical Monitoring: Test Type:

Test Vessel:
Water Media Type:

Test Concentrations: Nominal and Measured Concentrations: Exposure Period:

Vehicle Used:

Vehicle Name:

Vehicle Amount and Units: Alkalinity: 

# Page 46 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrintDissolved Oxygen:

pH Value:

Test Temperature and Units: Photo (Light/Dark): Salinity:

TOC:

Water Hardness:

Method/Guideline Test Conditions Remarks: Acute toxicity to fish was estimated by ECOSAR v1.0 0, found in EPIWIN v4.00. Measured data for boiling point and water solubility were en tered. For all other input parameters, the default values found in EPIWIN were used. Limit Test: 

### Test Results - Acute Toxicity To Aquatic Vertebrates NOEC Exposure Duration:
NOEC:
LOEC Exposure Duration:
LOEC:
NOELR Exposure Duration:
NOELR:
LOELR Exposure Duration:
LOELR:
LC/EC Mean Value : Exposure Duration Exposure

Units LC/EC % Value Description Mean

Value or Lower Mean Value Upper

Mean Value Units Effect

Observed Basis for

Concentration

96 Hours LC 50 % circa 0.11 mg/L 

# Page 47 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrintResults Remarks: ECOSAR Program (v1.00) Results:

============================== SMILES : O=C(C(CL)(CCL)C)C(CL)C CHEM : CAS Num: ChemID1: ChemID2: ChemID3: MOL FOR: C6 H9 CL3 O1 MOL WT : 203.50 Log Kow: 1.82 (KowWin estimate) Melt Pt: Wat Sol: 136.8 mg/L (measured)
ECOSAR v1.00 Class(es) Found

------------------------------ Halo Ketones (2 free H) Predicted ECOSAR Class Organism Du ration End Pt mg/L (ppm)

=========================== ================== == ====== ====== ========== Halo Ketones (2 free H) : Fish 96 -hr LC50 0.110 Halo Ketones (2 free H) : Daphnid 48 -hr LC50 0.659 Halo Ketones (2 free H) : Green Algae 96 -hr EC50 0.212 Halo Ketones (2 free H) : Fish ChV 0.020 Halo Ketones (2 free H) : Daphnid ChV 0.074 ! Halo Ketones (2 free H) : Green Algae ChV 0.054

=========================== ================== == ====== ====== ========== Neutral Organic SAR : Fish 96 -hr LC50 224.498 * (Baseline Toxicity) : Daphnid 48 -hr LC50 126.688 : Green Algae 96-hr EC50 50.640 : Fish ChV 21.398 : Daphnid ChV 11.326 : Green Algae ChV 17.721 Note: * = asterisk designates: Chemical may not be soluble enough to measure this predicted effect. Note: ! = exclamation designates: The toxicity val ue was determined from a predicted SAR using established acute-to-chronic ratios and ECOSAR regression techniques which are documented in the s upporting Technical Reference Manual. When possible, this toxicity valu e should be considered in a weight of evidence approach.
Halo Ketones (2 free H):

----------------------- For Fish LC50 (96-h), Daphnid LC50, Mysid: If the l og Kow is greater than 5.0, or if the compound is solid and the LC50 exceeds the water solubility by 10X, no effects at saturation are pre dicted. For Fish LC50 (14-day) and Earthworm LC50: If the l og Kow is greater than 6.0, or if the compound is solid and the LC50 exceeds the water solubility by 10X, no effects at saturation are pre dicted. For Green Algae Acute Toxicity Values: If the log K ow of the chemical is greater than 6.4, or if the compound is solid and t he EC50 exceeds the water solubility by 10X, no effects at saturation are pre dicted for these endpoints. For All Chronic Toxicity Values: If the log Kow of the chemical is greater than 8.0, or if the compound is solid and the ChV e xceeds the water solubility by 10X, no effects at saturation are predicted for these endpoints.

ECOSAR v1.00 SAR Limitations:

---------------------------- Maximum LogKow: 5.0 (Fish 96-hr LC50; Daphnid LC50, Mysid LC50) Maximum LogKow: 6.0 (Fish 14-day LC50; Earthworm LC 50) Maximum LogKow: 6.4 (Green Algae EC50) Maximum LogKow: 8.0 (ChV) Maximum Mol Wt: 1000 Baseline Toxicity SAR Limitations:

--------------------------------- Maximum LogKow: 5.0 (Fish 96-hr LC50; Daphnid LC50) 

# Page 48 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrintMaximum LogKow: 6.4 (Green Algae EC50) Maximum LogKow: 8.0 (ChV) Maximum Mol Wt: 1000



### Reliability/Data Quality - Acute Toxicity To Aquatic Vertebrates Reliability: 2 - Valid With Restrictions
Reliability Remarks: Scientifically acceptable method of calculation.
Key Study Sponsor Indicator: 

### Reference - Acute Toxicity To Aquatic Vertebrates Reference: EPI Suite v4.00, U.S. Environmental Protection Agen cy, 2000-2008. 

# Page 49 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrint

## Acute Toxicity to Aquatic Invertebrates

CAS Number : 145556-04-3
Sponsored Chemical Name : 3-Pentanone, 1,2,4-trichloro-2-methyl

### Test Substance - Acute Toxicity To Aquatic Invertebrat es Test Substance: (145556-04-3) 3-Pentanone, 1,2,4-trichloro-2-methyl Test Substance Purity/Composition and Other Test Substance Comments: 3-Pentanone, 1,2,4-trichloro-2-methyl-, CAS# 145556 -04-3.

Sponsored Chemical Result Type: Test Substance Result Type: Estimated 

### Method - Acute Toxicity To Aquatic Invertebrates Year Study Performed: 2011
Method/Guideline Followed: Other Method/Guideline: Deviations from Method/Guideline: Species/In Vitro System:
GLP: Not Applicable
Analytical Monitoring: Test Type:

Test Vessel:
Water Media Type:

Test Concentrations: Nominal and Measured Concentrations: Exposure Period:

Vehicle Used:

Vehicle Name:

Vehicle Amount and Units: Alkalinity: 

# Page 50 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrintDissolved Oxygen:

pH Value:

Test Temperature and Units: Photo (Light/Dark): Salinity:

TOC:

Water Hardness:

Method/Guideline Test Conditions Remarks: The acute toxicity to daphnids was estimated by ECO SAR v1.00, found in EPIWIN v4.00. Measured data for boiling point and w ater solubility were entered. For all other input parameters, the default values foun d in EPIWIN were used. Limit Test: 

### Test Results - Acute Toxicity To Aquatic Invertebrate s NOEC Exposure Duration:
NOEC:
LOEC Exposure Duration:
LOEC:
NOELR Exposure Duration:
NOELR:
LOELR Exposure Duration:
LOELR:
LC/EC Mean Value : Exposure Duration Exposure

Units LC/EC % Value Description Mean

Value or Lower Mean Value Upper

Mean Value Units Effect

Observed Basis for

Concentration

48 Hours LC 50 % circa 0.66 mg/L 

# Page 51 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrintResults Remarks: ECOSAR Program (v1.00) Results:

============================== SMILES : O=C(C(CL)(CCL)C)C(CL)C CHEM : CAS Num: ChemID1: ChemID2: ChemID3: MOL FOR: C6 H9 CL3 O1 MOL WT : 203.50 Log Kow: 1.82 (KowWin estimate) Melt Pt: Wat Sol: 136.8 mg/L (measured)
ECOSAR v1.00 Class(es) Found

------------------------------ Halo Ketones (2 free H) Predicted ECOSAR Class Organism Du ration End Pt mg/L (ppm)

=========================== ================== == ====== ====== ========== Halo Ketones (2 free H) : Fish 96 -hr LC50 0.110 Halo Ketones (2 free H) : Daphnid 48 -hr LC50 0.659 Halo Ketones (2 free H) : Green Algae 96 -hr EC50 0.212 Halo Ketones (2 free H) : Fish ChV 0.020 Halo Ketones (2 free H) : Daphnid ChV 0.074 ! Halo Ketones (2 free H) : Green Algae ChV 0.054

=========================== ================== == ====== ====== ========== Neutral Organic SAR : Fish 96 -hr LC50 224.498 * (Baseline Toxicity) : Daphnid 48 -hr LC50 126.688 : Green Algae 96-hr EC50 50.640 : Fish ChV 21.398 : Daphnid ChV 11.326 : Green Algae ChV 17.721 Note: * = asterisk designates: Chemical may not be soluble enough to measure this predicted effect. Note: ! = exclamation designates: The toxicity val ue was determined from a predicted SAR using established acute-to-chronic ratios and ECOSAR regression techniques which are documented in the s upporting Technical Reference Manual. When possible, this toxicity valu e should be considered in a weight of evidence approach.
Halo Ketones (2 free H):

----------------------- For Fish LC50 (96-h), Daphnid LC50, Mysid: If the l og Kow is greater than 5.0, or if the compound is solid and the LC50 exceeds the water solubility by 10X, no effects at saturation are pre dicted. For Fish LC50 (14-day) and Earthworm LC50: If the l og Kow is greater than 6.0, or if the compound is solid and the LC50 exceeds the water solubility by 10X, no effects at saturation are pre dicted. For Green Algae Acute Toxicity Values: If the log K ow of the chemical is greater than 6.4, or if the compound is solid and t he EC50 exceeds the water solubility by 10X, no effects at saturation are pre dicted for these endpoints. For All Chronic Toxicity Values: If the log Kow of the chemical is greater than 8.0, or if the compound is solid and the ChV e xceeds the water solubility by 10X, no effects at saturation are predicted for these endpoints.

ECOSAR v1.00 SAR Limitations:

---------------------------- Maximum LogKow: 5.0 (Fish 96-hr LC50; Daphnid LC50, Mysid LC50) Maximum LogKow: 6.0 (Fish 14-day LC50; Earthworm LC 50) Maximum LogKow: 6.4 (Green Algae EC50) Maximum LogKow: 8.0 (ChV) Maximum Mol Wt: 1000 Baseline Toxicity SAR Limitations:

--------------------------------- Maximum LogKow: 5.0 (Fish 96-hr LC50; Daphnid LC50) 

# Page 52 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrintMaximum LogKow: 6.4 (Green Algae EC50) Maximum LogKow: 8.0 (ChV) Maximum Mol Wt: 1000



### Reliability/Data Quality - Acute Toxicity To Aquatic Invertebrates Reliability: 2 - Valid With Restrictions
Reliability Remarks: Scientifically acceptable method of calculation.
Key Study Sponsor Indicator: 

### Reference - Acute Toxicity To Aquatic Invertebrates Reference: EPI Suite v4.00, U.S. Environmental Protection Agen cy, 2000-2008. 

# Page 53 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrint

## Acute Toxicity to Aquatic Invertebrates

CAS Number : 145556-04-3
Sponsored Chemical Name : 3-Pentanone, 1,2,4-trichloro-2-methyl

### Test Substance - Acute Toxicity To Aquatic Invertebrat es Test Substance: (22591-21-5) 2-Butanone, 1,1-dichloro-3,3-dimethylTest Substance Purity/Composition and Other Test Substance Comments: 1,1-dichloro-3,3-dimethylbutan-2-one

Sponsored Chemical Result Type: See Test Plan and Category Analysis

Test Substance Result Type: Estimated 

### Method - Acute Toxicity To Aquatic Invertebrates Year Study Performed: 2011
Method/Guideline Followed: Other Method/Guideline: Deviations from Method/Guideline: Species/In Vitro System:
GLP: Not Applicable
Analytical Monitoring: Test Type:

Test Vessel:
Water Media Type:

Test Concentrations: Nominal and Measured Concentrations: Exposure Period:

Vehicle Used:

Vehicle Name:

Vehicle Amount and Units: Alkalinity: 

# Page 54 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrintDissolved Oxygen:

pH Value:

Test Temperature and Units: Photo (Light/Dark): Salinity:

TOC:

Water Hardness:

Method/Guideline Test Conditions Remarks: The acute toxicity to daphnids was estimated by ECO SAR v1.00h, found in EPIWIN v4.00. All parameters used in the calculation were the def ault values in EPIWIN.

Limit Test: 

### Test Results - Acute Toxicity To Aquatic Invertebrate s NOEC Exposure Duration:
NOEC:
LOEC Exposure Duration:
LOEC:
NOELR Exposure Duration:
NOELR:
LOELR Exposure Duration:
LOELR:
LC/EC Mean Value : Exposure Duration Exposure

Units LC/EC % Value Description Mean

Value or Lower Mean Value Upper

Mean Value Units Effect

Observed Basis for

Concentration

48 Hours EC 50 % circa 167 mg/L

Results Remarks: Results using the Neutral Organic SAR were selected

. 

# Page 55 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrintECOSAR Program (v1.00) Results:

============================== SMILES : O=C(C(C)(C)C)(C(CL)CL) CHEM : CAS Num: ChemID1: ChemID2: ChemID3: MOL FOR: C6 H10 CL2 O1 MOL WT : 169.05 Log Kow: 1.56 (KowWin estimate) Melt Pt: Wat Sol: 2882 mg/L (WskowWin estimate)
ECOSAR v1.00 Class(es) Found

------------------------------ Halo Ketones (0-1 free H) Predicted ECOSAR Class Organism Du ration End Pt mg/L (ppm)

=========================== ================== == ====== ====== ========== Halo Ketones (0-1 free H) : Fish 96 -hr LC50 316.651 Halo Ketones (0-1 free H) : Fish 14 -day LC50 317.916 Halo Ketones (0-1 free H) : Daphnid 48 -hr LC50 167.356 Halo Ketones (0-1 free H) : Green Algae 96 -hr EC50 65.672 Halo Ketones (0-1 free H) : Fish 30 -day ChV 32.035 Halo Ketones (0-1 free H) : Daphnid ChV 18.100 Halo Ketones (0-1 free H) : Green Algae ChV 23.326 Halo Ketones (0-1 free H) : Fish (SW) 96 -hr LC50 455.139 Halo Ketones (0-1 free H) : Mysid Shrimp 96 -hr LC50 431.684 Halo Ketones (0-1 free H) : Fish (SW) ChV 35.849 Halo Ketones (0-1 free H) : Mysid Shrimp (SW) ChV 42.489 Halo Ketones (0-1 free H) : Earthworm 14 -day LC50 326.341

=========================== ================== == ====== ====== ========== Neutral Organic SAR : Fish 96 -hr LC50 305.921 (Baseline Toxicity) : Daphnid 48 -hr LC50 167.417 : Green Algae 96-hr EC50 60.297 : Fish ChV 29.324 : Daphnid ChV 14.310 : Green Algae ChV 20.144 Note: * = asterisk designates: Chemical may not be soluble enough to measure this predicted effect.
Halo Ketones (0-1 free H):

------------------------- For Fish and Daphnid Acute Toxicity Values: If the log Kow of the chemical is greater than 5.0, or if the compound is solid an d the LC50 exceeds the water solubility by 10X, no effects at saturation a re predicted for these endpoints. For Green Algae Acute Toxicity Values: If the log K ow of the chemical is greater than 6.4, or if the compound is solid and t he EC50 exceeds the water solubility by 10X, no effects at saturation are pre dicted for these endpoints. For All Chronic Toxicity Values: If the log Kow of the chemical is greater than 8.0, or if the compound is solid and the ChV e xceeds the water solubility by 10X, no effects at saturation are predicted for these endpoints.

ECOSAR v1.00 SAR Limitations:

---------------------------- Maximum LogKow: 5.0 (LC50) Maximum LogKow: 6.4 (EC50) Maximum LogKow: 8.0 (ChV) Maximum Mol Wt: 1000 Baseline Toxicity SAR Limitations:

--------------------------------- Maximum LogKow: 5.0 (Fish 96-hr LC50; Daphnid LC50) Maximum LogKow: 6.4 (Green Algae EC50) Maximum LogKow: 8.0 (ChV) Maximum Mol Wt: 1000 

# Page 56 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrint

### Reliability/Data Quality - Acute Toxicity To Aquatic In vertebrates

Reliability: 2 - Valid With Restrictions
Reliability Remarks: Scientifically acceptable method of calculation.
Key Study Sponsor Indicator: 

### Reference - Acute Toxicity To Aquatic Invertebrates Reference: EPISuite v4.00, US Environmental Protection Agency, 2000-2008. 

# Page 57 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrint

## Acute Toxicity to Aquatic Plants

CAS Number : 145556-04-3
Sponsored Chemical Name : 3-Pentanone, 1,2,4-trichloro-2-methyl

### Test Substance - Acute Toxicity To Aquatic Plants Test Substance: (22591-21-5) 2-Butanone, 1,1-dichloro-3,3-dimethylTest Substance Purity/Composition and Other Test Substance Comments: 1,1-dichloro-3,3-dimethylbutan-2-one

Sponsored Chemical Result Type: See Test Plan and Category Analysis

Test Substance Result Type: Estimated 

### Method - Acute Toxicity To Aquatic Plants Year Study Performed: 2011
Method/Guideline Followed: Other Method/Guideline: Deviations from Method/Guideline: Species:

GLP: Not Applicable
Analytical Monitoring: Test Type:

Test Vessel:
Water Media Type:

Test Concentrations: Nominal and Measured Concentrations: Exposure Period:

Vehicle Used:

Vehicle Name:

Vehicle Amount and Units: Alkalinity: 

# Page 58 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrintDissolved Oxygen:

pH Value:

Test Temperature and Units: Photo (Light/Dark): Salinity:

TOC:

Water Hardness:

Method/Guideline Test Conditions Remarks: The acute toxicity to green algae was estimated by ECOSAR v1.00, found in EPIWIN v4.00. All parameters used in the calculation were the default values in EPIWIN.

Limit Test: 

### Test Results - Acute Toxicity To Aquatic Plants NOEC Exposure Duration:
NOEC:
LOEC Exposure Duration:
LOEC:
NOELR Exposure Duration:
NOELR:
LOELR Exposure Duration:
LOELR:

Effect : Exposure Duration Exposure

Units Type % Value Description Mean

Value or Lower Mean Value Upper

Mean Value Units Basis

for Effect Basis for

Concentration

96 Hours EC 50 % circa 66 mg/L Growth Rate

Results Remarks: ECOSAR Program (v1.00) Results:

============================== 

# Page 59 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrintSMILES : O=C(C(C)(C)C)(C(CL)CL) CHEM : CAS Num: ChemID1: ChemID2: ChemID3: MOL FOR: C6 H10 CL2 O1 MOL WT : 169.05 Log Kow: 1.56 (KowWin estimate) Melt Pt: Wat Sol: 2882 mg/L (WskowWin estimate)
ECOSAR v1.00 Class(es) Found

------------------------------ Halo Ketones (0-1 free H) Predicted ECOSAR Class Organism Du ration End Pt mg/L (ppm)

=========================== ================== == ====== ====== ========== Halo Ketones (0-1 free H) : Fish 96 -hr LC50 316.651 Halo Ketones (0-1 free H) : Fish 14 -day LC50 317.916 Halo Ketones (0-1 free H) : Daphnid 48 -hr LC50 167.356 Halo Ketones (0-1 free H) : Green Algae 96 -hr EC50 65.672 Halo Ketones (0-1 free H) : Fish 30 -day ChV 32.035 Halo Ketones (0-1 free H) : Daphnid ChV 18.100 Halo Ketones (0-1 free H) : Green Algae ChV 23.326 Halo Ketones (0-1 free H) : Fish (SW) 96 -hr LC50 455.139 Halo Ketones (0-1 free H) : Mysid Shrimp 96 -hr LC50 431.684 Halo Ketones (0-1 free H) : Fish (SW) ChV 35.849 Halo Ketones (0-1 free H) : Mysid Shrimp (SW) ChV 42.489 Halo Ketones (0-1 free H) : Earthworm 14 -day LC50 326.341

=========================== ================== == ====== ====== ========== Neutral Organic SAR : Fish 96 -hr LC50 305.921 (Baseline Toxicity) : Daphnid 48 -hr LC50 167.417 : Green Algae 96-hr EC50 60.297 : Fish ChV 29.324 : Daphnid ChV 14.310 : Green Algae ChV 20.144 Note: * = asterisk designates: Chemical may not be soluble enough to measure this predicted effect.
Halo Ketones (0-1 free H):

------------------------- For Fish and Daphnid Acute Toxicity Values: If the log Kow of the chemical is greater than 5.0, or if the compound is solid an d the LC50 exceeds the water solubility by 10X, no effects at saturation a re predicted for these endpoints. For Green Algae Acute Toxicity Values: If the log K ow of the chemical is greater than 6.4, or if the compound is solid and t he EC50 exceeds the water solubility by 10X, no effects at saturation are pre dicted for these endpoints. For All Chronic Toxicity Values: If the log Kow of the chemical is greater than 8.0, or if the compound is solid and the ChV e xceeds the water solubility by 10X, no effects at saturation are predicted for these endpoints.

ECOSAR v1.00 SAR Limitations:

---------------------------- Maximum LogKow: 5.0 (LC50) Maximum LogKow: 6.4 (EC50) Maximum LogKow: 8.0 (ChV) Maximum Mol Wt: 1000 Baseline Toxicity SAR Limitations:

--------------------------------- Maximum LogKow: 5.0 (Fish 96-hr LC50; Daphnid LC50) Maximum LogKow: 6.4 (Green Algae EC50) Maximum LogKow: 8.0 (ChV) Maximum Mol Wt: 1000 

# Page 60 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrint

### Reliability/Data Quality - Acute Toxicity To Aquatic Plan ts

Reliability: 2 - Valid With Restrictions
Reliability Remarks: Scientifically acceptable method of calculation.
Key Study Sponsor Indicator: 

### Reference - Acute Toxicity To Aquatic Plants Reference: EPISuite v4.00, US Environmental Protection Agency, 2000-2008. 

# Page 61 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrint

## Acute Toxicity to Aquatic Plants

CAS Number : 145556-04-3
Sponsored Chemical Name : 3-Pentanone, 1,2,4-trichloro-2-methyl

### Test Substance - Acute Toxicity To Aquatic Plants Test Substance: (145556-04-3) 3-Pentanone, 1,2,4-trichloro-2-methyl Test Substance Purity/Composition and Other Test Substance Comments: 1,2,4-Trimethyl-2-Methyl-3-Pentanone (TCK) or Reg. No. 395233 (Process-intermediate of BAS 656-PH, DMTA-P), CAS No. 145556-04-3, Batch ID B1112B01TCK, Purity 90.6 cor area %.

Sponsored Chemical Result Type: Test Substance Result Type: 

### Method - Acute Toxicity To Aquatic Plants Year Study Performed: 2010
Method/Guideline Followed: OECD 201

Other Method/Guideline: Deviations from Method/Guideline: Species: Pseudokirchnerella subcapitata

GLP: Yes
Analytical Monitoring: Yes
Test Type: Static

Test Vessel: Closed
Water Media Type:

Test Concentrations: Both

Nominal and Measured Concentrations: Nominal test concentrations: 0 (control), 1.0, 3.2, 10, 32 and 100 mg/L
Mean measured test concentrations: N.D., <LOQ, <LOQ , 9.2, 26.9, and 97.5 mg/L Exposure Period: 72 Hours

Vehicle Used: No

Vehicle Name:

Vehicle Amount and Units: 

# Page 62 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrintAlkalinity:

Dissolved Oxygen:
pH Value: Value/Lower Range: = 7 Upper Range: 9.6
Test Temperature and Units: Value/Lower Range: 23 °C

Photo (Light/Dark): continuous light
Salinity:

TOC:

Water Hardness:

Method/Guideline Test Conditions Remarks: The study was conducted according to the following test guidelines: 1) Commission Regulation (EC) No 440/2008, Part C.3 and 2) OECD 2 01 (March 2006). The exposure period was 72 hours. Algae used in the test were from a stock algal cult ure which is maintained continuously at the test facility. The algae are o btained at regular intervals from SAG (Collection of algal cultures at the University of Gottingen, Germany) and are kept in liquid culture in the lab. The test species /strain is Pseudokirchneriella subcapitata KORSHIKOV (SAG 61.81). Test medium was prepared according to OECD Guidelin e 201, Annex 3. Since testing was in a closed system, the medium was modified by incr easing the concentration of NaHCO3 to 300 mg/L. The pH of the modified medium w as adjusted to 7 by the addition of 1M HCl. The test concentrations were selected based upon th e results of a range-finding test. The test solutions were prepared separately f or each test concentration by dissolving test substance in test medium and stirri ng for about one day. The preparation was made in closed vessels and protecte d from light. All solutions were visibly clear following preparation. Test replicates were the following: 6 replicates fo r the control, 3 replicates for each test substance concentration, 1 additional rep licate per test group for initial concentration control analysis only, 1 additional u ninoculated (without algae) replicate per test group for background fluorescenc e correction and to determine the influence of the test design on test substance stab ility. The algal inoculum was from a 4-day old stock cultu re in exponential growth. A volume of inoculum was added to each test solution to attain an initial cell density of 3,000 cells/mL. The test vessels were Erlenmeyer flasks (nominal vo lume 250 mL) closed with glass plugs, the test volume was approximately 300 mL, th e test temperature was 23 deg C, the shaking rate was continuous (approx. 100 rpm) a nd the route of exposure was static exposure via the test medium. Universal whit e light, average 5158 lux (+/- 15%) at a wavelength of 400 - 700 nm was provided c ontinuously. Test vessels were rearranged daily to minimize the potential effects of slight variations in illumination. An analytical method for the determination of total organic carbon for the measurement of test substance in water was develope d by BASF and used to verify the nominal test concentrations. Sampling was performed at the start of the exposure (0 h) from inoculated replicate 7 of each concentration and the control. At the en d of the exposure (72 h) samples were taken of the inoculated replicates 1-3 of the test concentrations and of the inoculated replicates 1-6 of the control group. Th e replicates were combined before sampling. Since the algal cells would interfere wi th the determination of TOC, the samples were centrifuged for about 15 minutes at ab out 4000 rpm to remove the algae prior to analysis. Additionally, samples were colle cted from the uninoculated 

# Page 63 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrintreplicate 0 of each test concentration and the cont rol at the end of the exposure. This test was conducted utilizing modified exposure media, closed test system, and reduced inoculation density. An additional referen ce toxicant test was conducted with the same method modifications described in thi s study to determine any effect on algal response to toxic stress. The results of a reference toxicant test indicated that the algae are responding normally to toxicant stress under the modified test conditions and that these deviations from test guidelines do not affect the results of this study. Fluorescence was determined in each replicate (exce pt replicate 7) at 0, 24, 48, and 72 hours. At the end of the exposure period, the c orrelation between fluorescence and cell density was evaluated using direct microsc opic counting. The yield and growth rate over the exposure period was calculated for each replicate flask of each test group and the percent inhibition of the mean yield and growth rate was determined by comparison to the control. E Cx values were calculated by linear interpolation from the concentration-respons e relationship. SAS statistical software was used for the statistical evaluation of the data. The Dunnett's test (one-sided) was carried out at a 95% significance l evel for determination of the LOEC. Algal morphology was examined microscopically on th e inoculum culture and on a pooled sample from each test concentration at test termination. Limit Test: No


### Test Results - Acute Toxicity To Aquatic Plants NOEC Exposure Duration: 72 Hours

NOEC: = 1 mg/L Nominal
LOEC Exposure Duration: 72 Hours

LOEC: = 3.2 mg/L Nominal
NOELR Exposure Duration:
NOELR:
LOELR Exposure Duration:
LOELR:

Effect : Exposure Duration Exposure

Units Type % Value Description Mean

Value or Lower Mean Value Upper

Mean Value Units Basis

for Effect Basis for

Concentration

72 Hours EC 10 % = 2.16 mg/L Biomass Nominal 72 Hours EC 50 % = 6.32 mg/L Biomass Nominal
72 Hours EC 10 % = 4.97 mg/L Growth Rate Nominal 72 Hours EC 50 % = 19.2 mg/L Growth Rate Nominal

Results Remarks: Results from the examination of algal morphology we re not reported. 

# Page 64 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrintThe limit of quantification (LOQ) of the analytical method was 2.8 - 5.9 mg/L. The recovery efficiency was 94 - 95%. The two lowest te st concentrations were below the calibration curve and reported as < LOQ. Measured c oncentrations for the three highest test treatments ranged from 83 to 98% of no minal at 0 hours and from 84 to 98% of nominal at 72 hours, and in the uninoculated replicates ranged from 90 to 150% of nominal at 72 hours. Since the analytically determined concentrations of the test substance in the test solutions above LOQ were within +/- 20% of the nomi nal concentrations, the effect concentrations can be expressed relative to the nom inal concentrations. Due to the instability of the test substance (discussed below) , the results should be considered at the effect of the parent test substan ce and all degradation products. The stability of the test substance in test media w as determined in a separate investigation. The test substance is a mixture, how ever the stability was assessed by analysis of the main component. Over a period of 72 hours in test media, the concentration of the main component was 28% of the initial nominal value. Therefore the results of the algal toxicity test should be co nsidered as the effect of the parent test substance and all degradation products. Based upon yield (cell density at test termination minus cell density at test initiation), percent inhibition was -0.015, 15.1, 7 3.6, 98.8, and 100 in the 1.0, 3.2, 10, 32 and 100 mg/L test concentrations, respe ctively. Based upon growth rate, percent inhibition was 1.63 , 2.79, 21.4, 72.3, and 100 in the 1.0, 3.2, 10, 32 and 100 mg/L test concentratio ns, respectively. Toxicity response variables for algal yield based o n nominal concentrations were the following: EC10 = 2.16 mg/L EC50 = 6.32 mg/L EC90 = 21.3 mg/L NOEC = 1.0 mg/L LOEC = 3.2 mg/L Toxicity response variables for algal growth rate b ased on nominal concentrations were the following: EC10 = 4.97 mg/L EC50 = 19.2 mg/L EC90 = 66.3 mg/L NOEC = 3.2 mg/L LOEC = 10 mg/L

The test conformed to all validity criteria in OECD 201. The validity criter ia were met as follows: The cell multiplication factor in the untreated con trol was 223-fold after 72 hours (counted cell density: 67x10^4 cells/mL). The mean coefficient of variation for section-by-se ction growth rates for each test day in the control cultures was 11.1%. The coefficient of variation of average specific gr owth rates during the whole test period in replicate control cultures was 2.39%. This test was conducted using modified exposure med ia, closed test system, and reduced inoculum density. An additional reference t oxicant test was conducted with the same method modifications to determine any effe ct on algal response to toxic stress. The results of the reference toxicant test indicate that the algae are responding normally to toxicant stress under the mo dified test conditions. The test is valid according to the guidelines. No deviation s from test guidelines or other incidents occurred during the course of the reporte d test which may have influenced the results.



### Reliability/Data Quality - Acute Toxicity To Aquatic Plants Reliability: 1 - Valid Without Restrictions
Reliability Remarks: Well-documented study conducted according to accept able methods and under GLP.
Key Study Sponsor Indicator: Key 

# Page 65 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrint

### Reference - Acute Toxicity To Aquatic Plants

Reference: Salinas, E. 2011. Report: Reg. no. 395233 (Process- intermediate of BAS 656-PH, DMTAP) Growth Inhibition Study in Unicellular Green Alg ae Pseudokirchneriella subcapitata KORSHIKOV. BASF DocID 2010/1154437. Exp erimental Toxicology and Ecology, BASF SE, 67056 Ludwigshafen, Germany. Project No.: 60E0716/083698. 

# Page 66 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrint

## Acute Toxicity
CAS Number : 145556-04-3
Sponsored Chemical Name : 3-Pentanone, 1,2,4-trichloro-2-methyl

### Test Substance - Acute Toxicity Test Substance: (145556-04-3) 3-Pentanone, 1,2,4-trichloro-2-methyl Test Substance Purity/Composition and Other Test Substance Comments: - The test substance (TS) was trichlorinated ketone (TCK) - Purity was reported as 96.8% - Batch/Lot number: 5018-80-2

Sponsored Chemical Result Type: 

### Method - Acute Toxicity Route of Administration: Dermal
Type of Exposure: Occlusive
Species: Rat

Mammalian Strain: Sprague-Dawley

Gender: Both M/F

Number of Animals per Dose: 6

Dose: 500 and 2000 mg/kg
Year Study Performed: 1989
Method/Guideline Followed:
GLP: Yes
Method/Guideline and Test Condition Remarks: The test is similar to OECD Test Guideline 402 "Acu te Dermal Toxicity" with the following deviations: 1. No information on environmental conditions 2. Only two doses used

TEST ANIMALS: - Six male and six female rats were used in the tes t - The rats were acclimated for at least five days p rior to the test - Animal husbandry conformed to standards establish ed in "Guide for the Care and Use of Laboratory Animals" DHEW Pub. No. (NIH) 85-23. - The animals were housed in wire mesh cages - Agway ProLab RMH 3200 Meal and tap water was prov ided ad libitum - Six animals per sex weighing between 201-271 g we re randomly selected and assigned to the study

EXPOSURE: - On the day before TS administration the fur on th e back 

# Page 67 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrintof each rat was shaved - The TS was applied to the shaved area of 3 male a nd 3 female rats per dose level (500 and 2000 mg/kg) - Each test site was covered with gauze and occluded with a layer of plastic wrap and a stockinette sleeve secured with tape was placed around each animal's trunk - After 24 hours the coverings were removed and the site was wiped with gauze - Circular collars were placed on each animal to pr event ingestion of the TS

OBSERVATIONS: - The animals were observed for pharmacotoxic signs of mortality three times on the day of TS administration and twice daily thereafter - Individual body weights were determined just prio r to dosing on study day 1 and on days 4, 8, and 15 (termination) or at deat h

GROSS NECROPSY: - All animals were subjected to gross necropsy - The external body surface and orifices, major vis ceral organs, body cavities and the carcass were examined and the results recorded 

### Test Results - Acute Toxicity Concentration (LC/LD) : LC/LD % Value Description Value/Lower

Concentration Upper

Concentration Units LD 50 % > 2000 mg/kg -bw

Number of Deaths ( Male ): Number of Deaths ( Female ): Number of Deaths ( Total ): Results Remarks: MORTALITY: - One female died in the 2000 mg/kg group on study day 7

CLINICAL OBSERVATIONS: - Test article application caused dermal irritation characterized by dark coloration, eschar formation, edema and dry skin 2000 mg/kg: - Dark material around the eyes and/or nose and/or mouth, decreased activity, hair loss and sores on the body , hypothermia, nasal discharge, respiratory irregular ity, tremors, and unsteady gait, apparent urinary incont inence and vocalization 500 mg/kg: - Dark material around the eyes and/or nose, hair l oss and sores on the body, apparent urinary incontinence an d vocalization 

# Page 68 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrintBODY WEIGHT: - Group mean body weight was decreased at 2000 mg/k g from study days 1-4; however, mean body weight was incre ased from days 4-8 and 8-15 - Group mean body weight in males at 500 mg/kg was increased over the 15 day study period - Female mean body weight was increased or uncharge d in both groups throughout the study

GROSS NECROPSY: - No abnormalities were noted during gross necropsy examination of the animals except for the female th at died in the 2000 mg/kg group; this animal exhibited a re d substance in the intestines: bright red lungs and a red stomach mucosa with rugae absent Conclusion: One female rat in the 2000 mg/kg dose group died during the study. All other animals survived to study termination (day 15 ) following a 24 hour topical application of the test article at dose lev els of 500 and 2000 mg/kg body weight. Under the conditions of this study, th e acute dermal LD50 of the TS is considered to be greater than 2000 mg/kg body weight. 

### Reliability/Data Quality - Acute Toxicity Reliability: 1 - Valid Without Restrictions
Reliability Remarks: GLP study similar to OECD Test Guideline 402 "Acute Dermal Toxicity." This study had no control group. No information was provided on the test conditions during the course of the study. Key Study Sponsor Indicator: 

### Reference - Acute Toxicity Reference: Reagan, E.L., Study Director. 1989. Acute Dermal To xicity Study of Trichlorinated Ketone in Sprague- Dawley Rats. Food & Drug Research Laboratories, Study No.: 89.2385.02 0. Submitted to Sandoz Crop Protection Corporation. Ap ril 28, 1989. 

# Page 69 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrint

## Acute Toxicity
CAS Number : 145556-04-3
Sponsored Chemical Name : 3-Pentanone, 1,2,4-trichloro-2-methyl

### Test Substance - Acute Toxicity Test Substance: (145556-04-3) 3-Pentanone, 1,2,4-trichloro-2-methyl Test Substance Purity/Composition and Other Test Substance Comments: The test substance was identified by FDRL as Trichl orinated Ketone, purity 96.8%, Batch/Lot No. 5016-80-2. It was assigned the FDRL ID Number 89-00032. Sponsored Chemical Result Type: 

### Method - Acute Toxicity Route of Administration: Oral
Type of Exposure: Gavage
Species: Rat

Mammalian Strain: Sprague-Dawley

Gender: Both M/F

Number of Animals per Dose: 6

Dose: 500 and 2500 mg/kg bw
Year Study Performed: 1989
Method/Guideline Followed:
GLP: Yes
Method/Guideline and Test Condition Remarks: This study was conducted using six male and six fem ale rats (Charles River Breeding Laboratories) to determine an acute oral toxicity LD50 value from a single dose delivered by gavage. The animals were acclimated to the laboratory conditions for at least five days pr ior to initiation of the study. Animals were housed in wir e mesh cages and were provided Agway Prolab RMH 3200 Meal and water ad libitum. The animals wei ghed between 184 and 256 g at the initiation of the stud y. Animals were fasted overnight prior to administrati on of the test substance. Three male and three female animals were placed int o each of two dosage groups, 500 and 2500 mg/kg bw. The an imals were observed for a period of 15 days for pharmacot oxic signs and mortality. Observations were made three t imes on Day 1 (dose administration) and twice daily thereaf ter. Individual body weights were determined on day 1, 4 , 5, and 

# Page 70 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrint15. All animals were subjected to gross necropsy on day 15. 

### Test Results - Acute Toxicity Concentration (LC/LD) : LC/LD % Value Description Value/Lower

Concentration Upper

Concentration Units LD 50 % = 500 2500 mg/kg -bw

Number of Deaths ( Male ): Number of Deaths ( Female ): Number of Deaths ( Total ): Results Remarks: All animals in the high dose group died by day 3; a ll animals in the low dose group survived until study termination. The following observations were made f rom the high dose group: decreased activity, diarrhea, labo red breathing, salivation, and an unsteady gait. Animals in the low dose group exhibited: diarrhea, hair loss on th e body at the base of the tail, respiratory irregularity, salivation, apparent urinary incontinence, and sores at the base of the tail.

Male mean body weight increased among males in the low dose group while female weights decreased on days 1-4 an d then increased until study termination. Gross necropsy findings for the high dose group inc lude: red substance in the intestines; pale areas of the liver; dark areas in the lungs and a red stomach mucosa with rugae absent. Findings in the l ow dose group include: adhesion of the stomach to the abdom inal wall, raised white areas on the stomach mucosa, a t hickened stomach mucosa and white areas on the stomach mucos a. Under conditions of the study, the acute oral LD50 of Trichlorinated Ketone is considered to be less than 2500 mg/kg and greater than 500 mg/kg bw. Conclusion: 

### Reliability/Data Quality - Acute Toxicity Reliability: 1 - Valid Without Restrictions
Reliability Remarks: GLP study similar to OECD Test Guideline 401 "Acute Oral Toxicity" with acceptable deviations. This study ha d no control group. No information was provided on the t est conditions during the course of the study. Key Study Sponsor Indicator: 

### Reference - Acute Toxicity 

# Page 71 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrintReference: Reagen, E.L., 1989. Acute Oral Toxicity Study of Trichlorinated Ketone (TCK) In Sprague-Dawley Rats. Food & Drug Research Laborator ies, Division of Enviro/Analysis Corporation. FDRL Study No. 89.2385.019. April 28, 1989. 

# Page 72 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrint

## Acute Toxicity
CAS Number : 145556-04-3
Sponsored Chemical Name : 3-Pentanone, 1,2,4-trichloro-2-methyl

### Test Substance - Acute Toxicity Test Substance: (22591-21-5) 2-Butanone, 1,1-dichloro-3,3-dimethylTest Substance Purity/Composition and Other Test Substance Comments: Dichloropinacolin

Sponsored Chemical Result Type: See Test Plan and Category Analysis


### Method - Acute Toxicity Route of Administration: Dermal
Type of Exposure:
Species: Rat

Mammalian Strain: Wistar

Gender: Both M/F

Number of Animals per Dose:
Dose: Five male rats were dosed with 5000 mg/kg and femal e rats were dosed with 2500 (5 rats) and 5000 mg/kg b w (10 rats). Year Study Performed: 1978
Method/Guideline Followed:
GLP: No Data
Method/Guideline and Test Condition Remarks: The study was performed according to the methods of Noakes and Sanderson (Brit. J. Ind. Med. 26, 59, 29 69). Wistar albino rats with a mean body weight of 160-2 40 g were used. Five male rats were dosed with 5000 mg/k g and female rats were dosed with 2500 (5 rats) and 5000 mg/kg bw (10 rats). The test sites were shaved 24 hours p rior to exposure. Dichloropinacolin was mixed with a dro p of peanut oil DAB 7 and was applied to intact, shaved skin, wrapped under aluminum foil, and left for 24 hours. At the conclusion of the 24 hour expsosure, the site w as unwrapped and was washed with soap and water. The animals were observed for 14 days.

Disturbances of the animals' behavior and difficult y breathing occurred, which continued from 2 to 12 da ys. 

### Test Results - Acute Toxicity 

# Page 73 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrintConcentration (LC/LD) : LC/LD % Value Description Value/Lower

Concentration Upper

Concentration Units

Number of Deaths ( Male ): Number of Deaths ( Female ): Number of Deaths ( Total ): Results Remarks: Since no male rats died as a result of the exposure , the dermal LD50 is > 5000 mg/kg bw. Four female rats died at the 5000 mg /kg bw dosage, resulting in a LD50 of ca. 5000 mg/kg bw

. Acute dermal toxicity Males Dose # Deaths #Time of occurrence 5000 0 - Females 2500 0 - 5000 4 3-5d Signs of toxicity included disturbances of behavior and difficulty of breathing and lasted from 2-12 days. Conclusion: Since no male rats died as a result of the exposure , the dermal LD50 is > 5000 mg/kg bw. Four female rats died at the 5000 mg /kg bw dosage, resulting in a LD50 of ca. 5000 mg/kg bw

. 

### Reliability/Data Quality - Acute Toxicity Reliability: 2 - Valid With Restrictions
Reliability Remarks: This study is an adequate acute dermal toxicity stu dy. One major deviation from accepted dermal toxicity guidelines is the usage of only one dosage group in males and only two in females. OECD Test Guideline 402 for acute dermal toxicity testing stipulates that t here should be at least three appropriately spaced dosag e groups. Minor deivations include the lack of report ing of environmental conditions during the experiment a nd the purity of the test substance. Key Study Sponsor Indicator: 

### Reference - Acute Toxicity Reference: Flucke, W., and Kimmerle, G. 1978. Dichloropinacoli n - Study of Acute Toxicity. Bayer AG Institut fuer Toxikologie, Report No. 7305. March 8, 1978. 

# Page 74 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrint

## Acute Toxicity
CAS Number : 145556-04-3
Sponsored Chemical Name : 3-Pentanone, 1,2,4-trichloro-2-methyl

### Test Substance - Acute Toxicity Test Substance: (22591-21-5) 2-Butanone, 1,1-dichloro-3,3-dimethylTest Substance Purity/Composition and Other Test Substance Comments: Dichloropinacolin

Sponsored Chemical Result Type: See Test Plan and Category Analysis


### Method - Acute Toxicity Route of Administration: Inhalation
Type of Exposure: Vapor
Species: Other
Other Species: rat, mouse, hamster, rabbit

Mammalian Strain:

Gender: Both M/F

Number of Animals per Dose: Concentration:
Year Study Performed: 1978
Method/Guideline Followed:
GLP: No
Method/Guideline and Test Condition Remarks: For the production of steams, non-lubricated air (2 L/min) was conducted through a a boilerplate of DCP (70 g) in a strong analysis pipe at room temperature (2 0-22 deg C). Air enriched with DCP steam was diluted and led into the inhalation chambers.

The content of test substance in air was determined according to absorption in cooled acetone (-60 deg C) by gas chromatography with the help of a electron capt ure detector (ECD).

DYNAMIC VOLATILIZED ATMOSPHERE Five male rats and ten male mice were exposed to 32 8 or 643 mg/m3 for 1 or 4 hours each in a dynamic volati lized atmosphere of the test substance. The post-exposur e observation period was 14 days. 

# Page 75 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrintVOLATILIZED ATMOSPHERE In a 400 L inhalation chamber exposures were perfor med on groups of 10 male rats, 20 female mice, 5 male hamsters and 2 female rabbits. The animals were exposed for 1 or 4 hours and were observed for 14 days after the exposure. Certain quantities of DCP were evaporate d in the chambers at temperatures of 70 deg C and were distributed with a fan. The regulation of the test chamber atmosphere concentration was performed according to that of the dynamic atmospheres.


### Test Results - Acute Toxicity Concentration (LC/LD) : LC/LD % Value Description Value/Lower

Concentration Upper

Concentration Units

Number of Deaths ( Male ): Number of Deaths ( Female ): Number of Deaths ( Total ): Results Remarks: DYNAMIC VOLATILIZED ATMOSPHERE Concentration #Deaths Time of death App. of Symptoms (mg/m3 air) Male Rats 328 0/5 - 5-6h 643 3/5 1-2d 2-14d Male Mice 328 0/10 - 2-4h 643 4/10 9-12d 2-14d

VOLATILIZED ATMOSPHERE Concentration Exposure # Deaths Time of App. of LC50 (mg/m3 air) Duration Death Symptoms Male Rats 720 1 0/10 - 1h >720 484 4 0/10 - 4h 1179 4 1/10 2d 4d >1179

Male Mice 720 1 0/20 - 1h >720 484 4 0/20 - 6h 1179 4 1/20 7d 4d >1179

Male Hamsters 2268 1 0/5 - 1h >2268 712 4 0/5 - 4h 1234 4 0/5 - 24h >1234 

# Page 76 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrintFemale Rabbits 2268 1 0/2 - 1h >2268 712 4 0/2 - 4h 1234 4 1/2 3h 7h >1234

Irritation of the mucous membranes, coughs, cold, tears, and salivation were observed in all the experimental animals. In t he high concentrations, both rats and mice showed additional general disturbances of the behavior and breathing difficulties. Conclusion: Based on 4-hour exposures, the LC50 values were > 1 179 mg/m^3 for rats and mice and > 1234 mg/m^3 for hams ters and rabbits. 

### Reliability/Data Quality - Acute Toxicity Reliability: 2 - Valid With Restrictions
Reliability Remarks: Key Study Sponsor Indicator: 

### Reference - Acute Toxicity Reference: Flucke, W., and Kimmerle, G. 1978. Dichloropinacoli n - Study of Acute Toxicity. Bayer AG Institut fuer Toxikologie, Report No. 7305. March 8, 1978. 

# Page 77 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrint

## Acute Toxicity
CAS Number : 145556-04-3
Sponsored Chemical Name : 3-Pentanone, 1,2,4-trichloro-2-methyl

### Test Substance - Acute Toxicity Test Substance: (22591-21-5) 2-Butanone, 1,1-dichloro-3,3-dimethylTest Substance Purity/Composition and Other Test Substance Comments: Dichloropinacolin

Sponsored Chemical Result Type: See Test Plan and Category Analysis


### Method - Acute Toxicity Route of Administration: Oral
Type of Exposure:
Species: Rat

Mammalian Strain: Wistar

Gender: Both M/F

Number of Animals per Dose: 30

Dose: 250, 500, 1000, 1500, 1750, 2000, 2250, 2500 mg/kg bw
Year Study Performed: Method/Guideline Followed:
GLP: No Data
Method/Guideline and Test Condition Remarks: Male and female Wistar albino rats with a mean body weight of 160-240 g were used. The animals were fed Altromin R 1234 fee d, which was provided with water ad libitum. Food was withheld from 16 hours prior to treatment until 2 h ours after treamtent. Thirty rats (15 per sex per dose)w ere exposed to the following doses: 250, 500, 1000, 150 0, 1750, 2000, 2250, and 2500 mg/kg bw. Doses were 0.5 mL/100 g body weight in both male and females. The LD50 was calculated according to the method of Litchfiel d and Wilcoxon (J. Pharmacol. Exper. Therap. 96, 99, 1949 ). There was a 14 day observation period after the exposure. 

### Test Results - Acute Toxicity Concentration (LC/LD) : LC/LD % Value Description Value/Lower

Concentration Upper

Concentration Units 

# Page 78 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrintNumber of Deaths ( Male ): Number of Deaths ( Female ): Number of Deaths ( Total ): Results Remarks: The calculated LD50 value for male rats was 1820 mg /kg bw (95% CI: 1704-1944) and for female rats 1300 mg/ kg bw (95% CI: 1156-1463). No mortality occurred at 1000 mg/kg bw and all lower doses in males and at 500 mg/kg bw and all lower doses in females. Acute Oral Toxicity (Males) Dose # Deaths Occurrence (mg/kg) of Deaths 250 0 - 500 0 - 1000 0 - 1500 1 6d 1750 6 4-10d 2000 12 2-9d 2250 14 2-7d 2500 15 3-7d Acute Oral Toxicity (Females) Dose # Deaths Occurrence (mg/kg) of Deaths 250 0 - 500 0 - 1000 2 5-9d 1250 8 2-8d 1500 11 2-5d 1750 13 2-8d 2500 15 2-10d Signs of intoxication included disrupted behavior (apathy, separation from the group), difficulty breathing, and increased urination. The symptoms lasted from 10-40 minutes p ostexposure. Post mortem examination showed an erosion of the mucosal stomach lining, hemorrhaging, pale and swollen liver and kidneys and enlarged adrenal glan ds. There were no macroscopic aberrations after the tox ic symptoms had subsided among animals in the higher d ose group who lived through the treatment. Conclusion: The calculated LD50 value for male rats was 1820 mg /kg bw (95% CI: 1704-1944) and for female rats 1300 mg/ kg bw (95% CI: 1156-1463). No mortality occurred at 1000 mg/kg bw and all lower doses in males and at 500 mg/kg bw and all lower doses in females. 

### Reliability/Data Quality - Acute Toxicity Reliability: 2 - Valid With Restrictions
Reliability Remarks: The experimental procedures are adequately describe d in the report. Information such as the presence or abs ence of controls is missing; 

# Page 79 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrinthowever, a range of concentrations were used in thi s study and the appropriate post-exposure observations of the anima ls were performed. Key Study Sponsor Indicator: 

### Reference - Acute Toxicity Reference: Flucke, W., and Kimmerle, G. 1978. Dichloropinacoli n - Study of Acute Toxicity. Bayer AG Institut fuer Toxikologie, Report No. 7305. March 8, 1978. 

# Page 80 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrint

## Repeated-Dose Toxicity
CAS Number : 145556-04-3
Sponsored Chemical Name : 3-Pentanone, 1,2,4-trichloro-2-methyl

### Test Substance - Repeated-Dose Toxicity Test Substance: (145556-04-3) 3-Pentanone, 1,2,4-trichloro-2-methyl Test Substance Purity/Composition and Other Test Substance Comments: Trichloro Ketone, purity 86.0%, Lot No. B-1190.

Sponsored Chemical Result Type: 

### Method - Repeated-Dose Toxicity Route of Administration: Oral
Type of Exposure: In Food
Species: Rat

Mammalian Strain: Sprague-Dawley

Gender: Both M/F

Number of Animals per Dose: 30

Dose: 200, 630, and 2000 ppm (Males: 21.1, 66.4, 211 mg/k g bw/day, Females: 23.1, 72.5, 231 mg/kg bw/day Year Study Performed: 1993
Method/Guideline Followed: EPA OTS 798.2650

GLP: Yes
Exposure Period: 90 Days
Frequency of Treatment: Post-Exposure Period: Method/Guideline and Test Condition Remarks: This study was designed to follow the Toxic Substan ces Control Act (TSCA): Health Effects Test Guidelines; published b y the Office of the Toxic Substances; Office of Pesticides and Toxi c Substances, United States Environmental Protection Agency, for a subchronic oral toxicity study, Section 798.2650; published Se ptember 27, 1985 and amended on May 20, 1987, December 6, 1988 and May 1, 1989. In addition, this study was conducted in comp liance with Part 792 of 40 CFR (EPA Good Laboratory Practices - TSCA). This is a 90-day (13 wks) study to determine a NOAE L for subchronic oral toxicity and neurotoxicity in rats. 

# Page 81 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrintThere was a 21 day acclimation period, during which time all test animals were inspected by a veterinarian. 140 total animals (70 of each sex) were selected as suitable for the study. The mean weight for males and females with ranges in grams was 218.3 (187.2-272.7 ) and 173.8 (149.8-205.1) respectively. Test animals were assig ned to dosage groups by a computer program so that mean weights w ere comparable between exposure groups. Each rat was identified wi th an ear tag bearing its serial number. Test animals were provided water and Certified Rodent Chow No.5002 ad libitum with fresh food being provided twice wee kly. Animals were housed in pairs (same sex) in stainless steel wire mesh cages during the acclimation period and individually hous ed thereafter. The testing laboratory was fully accredited by the American Association for Accreditation of Laboratory Animal Care at the time of the study. Three exposure groups were run at the following dos es: 200, 630, and 2000 ppm (Males: 21.07, 66.38, 210.7 mg/kg bw/d ay, Females: 23.12, 72.49, 231.2 mg/kg bw/day) with 15 males and females in each group. In addition, a control was run (15 male s, 15 females) with administration of regular diet only, and a pos itive control (10 males, 10 females) acrylamide exposure. The tes t substance was administered orally via the diet and the positive c ontrol was administered via gastric intubation with distilled water as the vehicle at dose volume of 5 mL/kg/dose. Analytical monitoring was performed to determine the stability, homogeneity, and concentration of the test substance with carriers u nder the conditions of this experiment. Observations of mortality and gross signs of toxico logic or pharmacologic effects were made twice daily. In addition, detailed physical examination for signs of local or systemic toxicity, pharmacologic effects, and palpatation for tissue masses were made during the pretest peri od and weekly thereafter. Determinations of body weight were made during the pretest period and then weekly therafter as well. F ood consumption was monitored during the pretest period and twice w eekly thereafter. The test substance intake was based on the food consumption and based on the nominal test concentra tions. There was a photoperiod of 12 hours of light and 12 hours of dark per day. Temperature was monitored and recorded twice daily; humidity was monitored and recorded once daily. Blood was collected from 10 animals per sex per gro up (excluding the positive control) after an overnight fasting pe riod at the beginning of the study and at termination from the same animals when feasible. The blood was analyzed for hematolog ic parameters and clinical chemistry. The locomotor activity and functional observational battery of 10 animals per sex per group was recorded pretest and during w eeks 5, 9, and 13 during 60 minute sessions. All surviving animals were sacrificed and subjected to a complete gross postmortem examination. Five animals per sex per group in the control and high-dose groups and 10 animals per sex per group from the positive control were selected for neuropa thological examinations. Organ weight, body weight, and organ/ brain weight ratios were calculated for the following tissues: adrenals, brain, kidneys, testes with epididymides, liver and ovaries. In addition, histopathological examinations were ca rried out on the following tissues of control and 2000 ppm animals ( 10 animals/sex/group): adrenals, aorta (thoracic), bone (sternum, femur wi th articular 

# Page 82 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrintsurface), bone marrow (sternum, femur), brain (medulla/pons, cerebrum and cerebellum), epididymides, esophagus, eyes with opt ic nerve, heart, intestine, cecum, colon, duodenum, ileum, je junum, rectum, kidneys, lacrimal gland, liver (2 lobes), lungs (wi th mainstem bronchi), lymph node(mesenteric), mammary gland, na sopharyngeal tissue (nasal turbinates),nerve (sciatic), ovaries, pancreas, pituitary, prostate, salivary gland (submandibular) , seminal vesicles, skeletal muscle (biceps femoris), skin, s pinal cord (cervical, thoracic, lumbar), spleen, stomach, test es, thymus, thyroid/parathyroids, trachea, urinary bladder, uterus (body/horns with cervix), zymbals glands, tissue lesions/masses (including a section of normal appearing portion of the same tis sue) and at 5 animals/sex/group: brain (forebrain, cerebral cortex, hippocampus, bas al ganglia, midbrain, cerebellum, midbrain, cerebellum and pons, medulla) , cervical thoracic and lumbar cord (cross and longitudinal sections), scia tic tibial and sural nerves (cross and longitudinal sections) The concentrations were reported in ppm. A standard food intake factor of 0.023 and 0.020 was used for males and fe males, respectively. The reported sex-specific average bod y weights (Males: 0.2183 kg, Females: 0.1738 kg) at initiatio n of treatment were used in the calculations. The following equati on was used in the conversion: Males (1 animal/0.2183 kg) * (X mg TS/kg food) * (0.023 kg food/day) = Y mg/kg bw/day

Females (1 animal/0.1738 kg) * (X mg TS/kg food) * (0.020 kg food/day) = Y mg/kg bw/day

Source: U.S. EPA. Recommendations for and Documentation of Biological Values for Use in Risk Assessment. U.S. Environment al Protection Agency, Washington, D.C., EPA/600/6-87/008 (NTIS PB 88179874), 1988. 

### Test Results - Repeated - Dose Toxicity Concentration (LOAEL/ LOAEC/ NOAEL/ NOAEC) : LOAEL/ LOAEC/ NOAEL/ NOAEC Population Value Description Value/Lower

Concentration Upper

Concentration Units

NOAEL = 200 ppm

Results Remarks: The temperature range during the study was 68-78 de g F (20-26 deg C)and the relative humidity was 32-74%. Mortality Only one male in the 630 ppm dosage group was found dead during the study on day 90. As this was the only death, it was not considered related to the test substance. One posit ive control female was found dead prior to sacrifice on day 104 ; however, acrylamide has been shown to cause mortality after prolonged exposure. 

# Page 83 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrintPhysical Examinations No treatment related effects observed. Ophthalmoscopic Examinations No treatment related effects observed. Body Weights Animals in the 2000 ppm dosage group exhibited sign ificant reductions in mean body weight gain and mean weight when compared to the control throughout the entire treatment peri od (statistically significant for males wk 3-terminati on and females wks 9- 12). Males in the 630 ppm dosage group also had a l ower mean body weight gain when compared to the control; howe ver, this effect was not as severe as the 2000 ppm dosage gro ups (significant for wks 5,6,11-13). All other groups h ad comparable mean weights and mean weight gains compared to the control. Food Consumption & Test Substance Intake Decreased food consumption in the 2000 ppm dosage g roup occurred during wks 1 and 2 and in the 630 ppm male dosage group at 7 days. No effects observed for the other dosage groups. Motor Activity Reduced motor activity occurred in the 2000 ppm dos age group at wks 5,9, and 13. Acrylamide exposure for 13 wks als o resulted in changes in motor activity. No other effects observed for the other dosage groups. Functional Observational Battery No treatment related effects at any dosage group.
Hematology No treatment related effects at any dosage group. Clinical Chemistry No treatment related effects at any dosage group. Terminal Organ and Body Weights, Organ/Body Weight, and Organ/Brain Weight Ratios Increases in mean kidney weight and the mean kidney /body weight ratio occurred in the 2000 ppm dosage group males. All other organ weights, both absolute and relative to terminal bod y weights for animals in the TCK-treated groups were either compa rable to control data or within the range of normal variabil ity.
Pathology No macroscopic treatment related findings at any do sage group. Microscopic findings considered to be related to administration of the test substance occurred in the kidneys and nasoturbinal tissues in the high dose group. Dietary Analysis Analysis confirmed that the mixing procedure produc ed homogenous mixtures. Concentration analysis confirmed that the diets of appropriate concentrations were administered to the test animals. Conclusion: The NOAEL for TCK administered in the diet for 13 w eeks under the conditions of this study was 200 ppm. This was base d on reductions in body weight gain in the 630 ppm dosage group and reductions in body weight and motor activity, increase in kidney weights, and microscopic changes in kidneys and nasal turbinates noted at the 2000 ppm dosage group. 

### Reliability/Data Quality - Repeated-Dose Toxicity Reliability: 1 - Valid Without Restrictions
Reliability Remarks: The study was conducted according to EPA OTS 798.26 50, 90- Day Oral Toxicity and in compliance with GLP. 

# Page 84 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrintKey Study Sponsor Indicator: 

### Reference - Repeated-Dose Toxicity Reference: Pannock, K.S., 1994. A subchronic (3-Month) Oral Toxicity/Neurotoxicity Study of Trichloro Ketone (T CK) in the Rat Via Dietary Administration. Final Report. Pharmaco LSR, Inc., Toxicology Services North America. Study No.93-4507 . May 11, 1994. 

# Page 85 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrint

## Genetic Toxicity in vitro
CAS Number : 145556-04-3
Sponsored Chemical Name : 3-Pentanone, 1,2,4-trichloro-2-methyl

### Test Substance - Genetic Toxicity in vitro Test Substance: (145556-04-3) 3-Pentanone, 1,2,4-trichloro-2-methyl Test Substance Purity/Composition and Other Test Substance Comments: Reg. No. 395233 (Process-intermediate of BAS 656-PH , DMTA-P), Batch ID B1112B01TCK, Purity 88.18 wt. %, CAS No 145556-0 4-3

Sponsored Chemical Result Type: Measured


### Method - Genetic Toxicity in vitro Type of Study: in vitro mammalian chromosome aberration test

Concentrations: In an initial range-finding cytotoxicity test for t he determination of the experimental doses, the test substance exhib ited a clear toxicity after 4 hours exposure. The following dose s were tested: 4-hour exposure, 18-hour sampling time, without S9 mix: 0, 0.31, 0.63, 1.25, 2.50, 5.00, 10.00, and 20.00 mcg/mL. 4-hour exposure, 18-hour sampling time, with S9 mix : 0, 0.63, 1.25, 2.50, 5.00, 10.00, 20.00 and 40.00 mcg/mL. The following doses were evaluated: Without S9 mix: 0, 2.5, 5, and 10 mcg/mL With S9 mix: 0, 5, 10 and 20 mcg/mL Year Study Performed: 2009
Method/Guideline Followed: OECD 473

GLP: Yes
Postive, Negative, and Solvent Control Substance (s): Vehicle control: 1% (v/v) Dimethylsulfoxide (DMSO) Positive control for exposure without metabolic act ivation (S9 mix): 500 mcg/mL Ethyl Methanesulfonate (EMS) Positive control for exposure with metabolic activa tion (S9 mix): 0.5 mcg/mL Cyclophosphamide (CPP) Method/Guideline and Test Condition Remarks: The experiments were carried out in accordance with the following guidelines: 1) OECD 473; 2) Commission Regulation ( EC) No 440/2008; B.10, and 3) US EPA OPPTS 870.5375, Aug 1998 "In vi tro Mammalian Chromosome Aberration Test"

Cell line used: V79 cell line derived form the Chin ese hamster. Stocks of the V79 cell line (1 mL portions) were ma intained at -196 deg C in liquid nitrogen using 7% (v/v) DMSO in cul ture medium as a cryoprotectant. Each batch used for the cytogeneti c experiments was checked for mycoplasma contamination, karyotype sta bility and plating efficiency including vital staining.

Culture media was minimal essential medium with Ear le's salts (MEM) containing a L-glutamine source supplemented with 1 0% (v/v) fetal calf serum, 1% (v/v) penicillin/streptomycin (10000 IU/10000 mcg/mL) and 1% (v/v) amphotericin B (250 mcg/mL). 

# Page 86 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrintCells were grown with 5% (v/v) CO2 at 37 deg C and >/= 90% humidity and subcultured twice weekly. Cells monolayers wer e suspended in culture medium after dispersion with 0.25% (w/v) tr ypsin solution. The cell cycle of the untreated V79 cells lasted fo r about 12-14 hours. For preparation of the S9 fraction, at least 5 male Wistar rats (Crl:Wl(Han)] received 80 mg/kg bw phenobarbital i. p and betanaphthoflavone orally each on 3 consecutive days. 2 4 hours after the last administration, the rats were sacrificed and t he S9 fraction of the livers prepared and stored frozen. Prior to eac h experiment, fresh S9 mix was prepared (1 part S9 fraction with 9 parts S9 cofactors). All cultures were prepared in duplicate. 100 metaph ases per culture were evaluated for structural chromosomal aberrations. Aneuploid and polyploid cells were recorded separately. Where cle arly positive findings were seen, the analysis was reduced to 50 metaphases per culture. The test substance was weighed and topped up with the chosen vehicle to achieve the required concentration of the stock solution. To achieve a clear solution of the test substance in t he vehicle, the test substance preparation was shaken thoroughly. T he further concentrations were diluted from the stock solution

. Chromosomal aberrations were generally analyzed in the first metaphase after they had formed to avoid loss durin g mitoses or conversion of the initial aberrations into more com plex derivations during subsequent cell cycles. Samples were taken at 18 ho urs (about 1.5 fold of the normal cell cycle time) Exposure time was at 4-hours; recovery time was at 14-hours and sampling time was at 18-hours. 2-3 hours prior to cell harvest, 100 mcL colcemid w as added to arrest mitosis, and the cells were fixed, stained a nd mounted. 

### Test Results - Genetic Toxicity in vitro Details on Cytogenetic Assay: Statistics: The statistical evaluation of the data was carried out using the MUCHAN program system (BASF SE). The proportion of metaphases with structural aberrations was calculated for each grou p. A comparison of each dose group with the negative control group was carried out using Fisher's exact test for the hypothesis of equ al proportions. This test was Bonferroni-Holm correct ed versus the dose groups separately for each time and was perfor med one-sided. 

# Page 87 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrintEffect : Species Other Species Strain Other Strain Metabolic Activation Genotoxic

Effect Conclusion

Mammalian Cell Line Chinese Hamster Lung Fibroblasts (V79) With Positive Positive With Metabolic Activation
Mammalian Cell Line Chinese Hamster Lung Fibroblasts (V79) Without Positive Positive Without Metabolic Activation

Results Remarks: Clastogenic mode of action: In the absence of metabolic activation after 4-hour s treatment, a statistically significant increase in the number of chromosomally damaged cells was observed at 2.5, 5.0 and 10.0 mcg /mL. In the presence of metabolic activation, a statisti cally significant increase in the aberration rate at 20.0 mcg/mL was observed. All statistically significant values clearly exceed ed the historical negative control data range. Aneugenic mode of action: No increase in the number of cells with changes in the number of chromosomes was demonstrated either without S mix o r after the addition of a metabolizing system. The vehicle controls gave frequencies of aberration s within the range expected for the V79 cell line. Both positiv e controls, i.e. EMS and cyclophosphamide, led to the expected incre ase in the number of cells containing structural chromosomal aberrati ons. On the basis of the results, the test substance cau sed a statistically significant and biologically relevant increase in the number of structurally aberrant metaphases includin g and excluding gaps either without S9 mix or after adding a metabo lizing system. Due to the clear positive findings in the 1st Exper iment a 2nd Experiment was not carried out to corroborate findi ngs. No increase in the frequency of cells containing numerical chro mosome aberrations was demonstrated. Conclusion: Under the experimental conditions, Reg. No. 395233 (Processintermediate of BAS 656-PH, DMTA-P) is considered t o have a chromosome-damaging (clastogenic) effect under in v itro conditions in V79 cells in the absence and the presence of met abolic activation. 

### Reliability/Data Quality - Genetic Toxicity in vitro Reliability: 1 - Valid Without Restrictions
Reliability Remarks: Well-documented study conducted under GLP and accor ding to acceptable guidelines. Key Study Sponsor Indicator: Key 

### Reference - Genetic Toxicity in vitro Reference: Schulz, M., and Landsiedel, R. 2009. Report: Reg. n o. 395233 (Process-intermediate of BAS 656-PH, DMTA-P) In Vit ro Chromosome 

# Page 88 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrintAberration Assay in V79 cells. BASF DocID 2009/1103 581. Experimental Toxicology and Ecology BASF SE 67056 Ludwigshafen, Germany. Project No.: 32M0716/084315. 

# Page 89 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrint

## Genetic Toxicity in vitro
CAS Number : 145556-04-3
Sponsored Chemical Name : 3-Pentanone, 1,2,4-trichloro-2-methyl

### Test Substance - Genetic Toxicity in vitro Test Substance: (145556-04-3) 3-Pentanone, 1,2,4-trichloro-2-methyl Test Substance Purity/Composition and Other Test Substance Comments: The test substance was Trichlorinated Ketone, 96.8% purity, Lot# 5018-80-2, Received on 01/27/89 as a clear colorles s solution, stored at room temperature in the dark.

Sponsored Chemical Result Type: 

### Method - Genetic Toxicity in vitro Type of Study: Bacterial reverse mutation assay

Concentrations: 66.6, 99.9, 333, 666, 999, 3330 ug/L
Year Study Performed: 1989
Method/Guideline Followed:
GLP: Yes
Postive, Negative, and Solvent Control Substance (s): Triplicate negative (solvent) controls were run for each indicator strain, with and without metabolic activation. Posi tive control materials which are known to be mutagenic to specif ic strains were also run in the absence of S9 with its particular i ndicator strain. In order to test the efficacy of the S9 mix, 2-amin oanthracene was used for the metabolic activation positive controls

. Method/Guideline and Test Condition Remarks: This study was conducted following Hazelton Laborat ories of America Protocol 401, Edition 15. The procedure was based o n the direct plate incorporation method published by Ames et al. , 1975. In this bacterial reverse mutation assay (Ames), th e following indicator microorganisms were used: Salmonella typhimurium st rains TA1535, TA1537, TA1538, TA98, and TA100. All the above stra ins were histidine auxotrophs (his-)and in addition carried a (rfa-) mutation which enhanced their sensitivity to some m utagenic agents. Additionally, the R factor pKM101 in TA98 and TA100 is believed to lead to more mutations for a given dose of mutagen. Stock culture plates were maintained at 5 +/- 5 deg C on minimal media plates. New stock culture plates were made wh en necessary from frozen master cultures or from plated single i solates checked for their genotypic characteristics. Inocula from s tock culture were grown overnight at 37 +/- 2 deg C for use in mutagenicity testing. The indicator strains were exposed to the test mate rial in the presence and absence of metabolic activation (S9 mix). The S9 mi crosomal fraction was prepared according to Ames et al., 197 5. Specifically, supernatant from Sprague-Dawley adult male rat live r centrifuged at 9000 g was purchased commercially. THe S9 mix was prepared just prior to its use in the assay. Based on a range finding study, the following six d oses were 

# Page 90 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrintselected: 66.6, 99.9, 333, 666, 999, and 3330 ug test substan ce/L. Each dosage was plated in triplicate. In addition, tripl icate negative (solvent) controls were run for each indicator strain, with and withou t metabolic activation. Positive control materials which are known to be mu tagenic to specific strains were also run in the absence of S9 with its particular indicator strain. In order to test the efficacy of the S9 mix , 2- aminoanthracene was used for the metabolic activation positive controls

. Dimethylsulfoxide (DMSO) was used as the vehicle fo r the test substance to form a solution at 200.44 mg/mL. This solution was used to make the necessary dilutions.

The number of his+ revertant colonies were counted either manually or using a BioTran II automated colony counter. The criteria used to determine positive mutagenic effects were based on a historical database. Most data sets were evaluated using the following c riteria: Strains TA1535, TA1537, TA1538: Data sets will be evaluated as positive if a dose r esponse exists
over a minimum of three test concentrations and the increa se is equal to
or greater than three times the solvent control value at the peak of the dose response. The solvent control value should be withi n the normal range for evaluating the results.
Strains TA98, TA100 Data sets will be evaluated as positive if a dose r esponse exists
over a minimum of three test concentrations and the increa se in revertants achieves a doubling of the solvent control value at the peak of the dose response. The solvent control value should be within the normal range for evaluating the results. 

### Test Results - Genetic Toxicity in vitro Details on Cytogenetic Assay: Statistics:

Effect : Species Other Species Strain Other Strain Metabolic Activation Genotoxic

Effect Conclusion

Bacteria S. typhimurium TA 100 With Positive

Bacteria S. typhimurium TA 1535 With and Without Negative

Bacteria S. typhimurium TA 1537 With and Without Negative

Bacteria S. typhimurium TA 1538 With and Without Negative

Bacteria S. typhimurium TA 98 With and Without Negative

Bacteria S. typhimurium TA 100 Without Negative 

# Page 91 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrintResults Remarks: The mean number of revertants per plate in relation to the solvent controls was the metric used in evaluating the muta genicity of the test substance. The results of the assay indicate that under the co nditions of this study, the test substance did cause a positive increase in the number of TA100 revertants per plate (4.7-fold) only in the presenc e of the S9 mix. Positive increases were not seen for any other indi cator strains under any conditions.

Microsomes: Rat Liver TA100 Dose/Plate(ug/L) Mean S.D. Vehicle Control 91 3 Test Article 66.6 154 4 99.9 168 33 333 294 22 666 432 53 999 299 28 3330 0 0 Positive Control 234 15 Conclusion: The test substance is mutagenic to the TA100 strain in the presence of the S9 microsomal fraction. All other strains we re negative. 

### Reliability/Data Quality - Genetic Toxicity in vitro Reliability: 1 - Valid Without Restrictions
Reliability Remarks: Performed in accordance with accepted guidelines.
Key Study Sponsor Indicator: 

### Reference - Genetic Toxicity in vitro Reference: Lawlor, T.E., 1989. Mutagenicity Test On Trichlorin ated Ketone 96.8% In the Ames Salmonella/Microsome Reverse Muta tion Assay. Revised Final Report. May 31, 1989. Hazelton Labora tories America, Inc. 5516 Nicholson Lane, Kensington, MD 20895. HLA Study No.: 10716-0-401. Submitted To: Sandoz Crop Protection C orp. 1300 East Touhy Ave., Des Plaines, IL 60018. 

# Page 92 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrint

## Reproductive Toxicity
CAS Number : 145556-04-3
Sponsored Chemical Name : 3-Pentanone, 1,2,4-trichloro-2-methyl

### Test Substance - Reproductive Toxicity Test Substance: (145556-04-3) 3-Pentanone, 1,2,4-trichloro-2-methyl Test Substance Purity/Composition and Other Test Substance Comments: Trichloro Ketone, purity 86.0%, Lot No. B-1190.

Sponsored Chemical Result Type: 

### Method - Reproductive Toxicity Route of Administration: Oral
Type of Exposure: In Food
Species: Rat

Mammalian Strain: Sprague-Dawley

Gender: Both M/F

Number of Animals per Dose: 30

Dose: 200, 630, and 2000 ppm (Males: 21.1, 66.4, 211 mg/k g bw/day, Females: 23.1,72.5, 231 mg/kg bw/day) Year Study Performed: 1994
Method/Guideline Followed:
GLP: Yes
Exposure Period: 90 Days
Frequency of Treatment: Post-Exposure Period: Method/Guideline and Test Condition Remarks: This study was designed to follow the Toxic Substan ces Control Act (TSCA): Health Effects Test Guidelines; published b y the Office of the Toxic Substances; Office of Pesticides and Toxi c Substances, United States Environmental Protection Agency, for a subchronic oral toxicity study, Section 798.2650; published Se ptember 27, 1985 and amended on May 20, 1987, December 6, 1988 and May 1, 1989. In addition, this study was conducted in comp liance with Part 792 of 40 CFR (EPA Good Laboratory Practices - TSCA). This is a 90-day (13 wks) study to determine a NOAE L for subchronic oral toxicity and neurotoxicity in rats. Data from exami nations of 

# Page 93 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrintreproductive organs and tissues are summarized here. There was a 21 day acclimation period, during which time all test animals were inspected by a veterinarian. 140 total animals (70 of each sex) were selected as suitable for the study. The mean weight for males and females with ranges in grams was 218.3 (187.2-272.7 ) and 173.8 (149.8-205.1) respectively. Test animals were assig ned to dosage groups by a computer program so that mean weights w ere comparable between exposure groups. Each rat was identified wi th an ear tag bearing its serial number.

Test animals were provided water and Certified Rodent Chow No.50 02 ad libitum with fresh food being provided twice wee kly. Animals were housed in pairs (same sex) in stainless steel wire mesh cages during the acclimation period and individually hous ed thereafter. The testing laboratory was fully accredited by the American Association for Accreditation of Laboratory Animal Care at the time of the study. Test conditions: There was a photoperiod of 12 hour s of light and 12 hours of dark per day. Temperature was monitored and recorded twice daily; humidity was monitored and recorded once daily. Three exposure groups were run at the following dos es: 200, 630, and 2000 ppm (Males: 21.07, 66.38, 210.7 mg/kg bw/d ay, Females: 23.12,72.49, 231.2 mg/kg bw/day) with 15 males and females in each group. In addition, a control was run (15 males, 15 females) with administration of regular diet only, and a positive control (10 males, 10 females) acrylamide exposure. The test su bstance was administered orally via the diet and the positive c ontrol was administered via gastric intubation with distilled water as the vehicle at dose volume of 5 mL/kg/dose. Analytical monitoring was performed to determine the stability, homogeneity, and concentration of the test substance with carriers u nder the conditions of this experiment. Observations of mortality and gross signs of toxico logic or pharmacologic effects were made twice daily. In addition, detailed physical examination for signs of local or systemic toxicity, pharmacologic effects, and palpatation for tissue masses were made during the pretest peri od and weekly thereafter. Determinations of body weight were made during the pretest period and then weekly therafter as well. Food consumption was monitored during the pretest period and twice w eekly thereafter. The test substance intake was based on the food consumption and based on the nominal test concentra tions. Blood was collected from 10 animals per sex per gro up (excluding the positive control) after an overnight fasting pe riod at the beginning of the study and at termination from the same animals when feasible. The blood was analyzed for hematolog ic parameters and clinical chemistry. The locomotor activity and functional observational battery of 10 animals per sex per group was recorded pretest and during weeks 5, 9, and 13 during 60 minute sessions. All surviving animals were sacrificed and subjected to a complete gross postmortem examination. Five animals per sex per gr oup in the control and high- dose groups and 10 animals per sex per group from the positive control were selected for neuropatholo gical examinations. Organ weight, body weight, and organ/ brain weight ratios were calculated for the following tissues: adrenals, brain, kidneys, testes with epididymides, liver and ovaries. In addition, histopathological examinations were ca rried out on the following tissues of control and 2000 ppm animals ( 10 

# Page 94 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrintanimals/sex/group): adrenals, aorta (thoracic), bone (sternum, femur wi th articular surface), bone marrow (sternum, femur), brain (medulla/pons, cerebrum and cerebellum), epididymides, esophagus, eyes with opt ic nerve, heart, intestine, cecum, colon, duodenum, ileum, jejunum, rectum, kidneys, lacrimal gland, liver (2 lobes), lungs (with mainst em bronchi), lymph node (mesenteric), mammary gland, nasopharyngeal tissue (nasal turbinates), nerve (sciatic), ovaries, pancreas, pituitary, pros tate, salivary gland (submandibular), seminal vesicles, skeletal muscle (biceps femoris), skin, spinal cord (cervical, thoracic, lumbar), spleen, s tomach, testes, thymus, thyroid/parathyroids, trachea, urinary bladder, ute rus (body/horns with cervix), zymbals glands, tissue lesions/masses (inc luding a section of normal appearing portion of the same tissue) and at 5 animals/sex/group: brain (forebrain, cerebral cortex, hippocampus, bas al ganglia, midbrain, cerebellum, midbrain, cerebellum and pons, medulla) , cervical thoracic and lumbar cord (cross and longitudinal sections), scia tic tibial and sural nerves (cross and longitudinal sections) The concentrations were reported in ppm. A standard food intake factor of 0.023 and 0.020 was used for males and females, res pectively. The reported sex-specific average body weights (Males: 0.2183 kg, Females: 0.1738 kg) at initiation of treatment were used in the calculations. The following equation was used in th e conversion: Males (1 animal/0.2183 kg) * (X mg TS/kg food) * (0.023 kg food/day) = Y mg/kg bw/day Females (1 animal/0.1738 kg) * (X mg TS/kg food) * (0.020 k g food/day) = Y mg/kg bw/day

Source: U.S. EPA. Recommendations for and Documentation of Biological Values for Use in Risk Assessment. U.S. Environment al Protection Agency, Washington, D.C., EPA/600/6-87/008 (NTIS PB 88179874), 1988. Pre-Mating Exposure / Males: Pre-Mating Exposure / Females: 

### Test Results - Reproductive Toxicity Concentration (LOAEL/ LOAEC/ NOAEL/ NOAEC) : LOAEL/ LOAEC/ NOAEL/ NOAEC Population Value Description Value/Lower

Concentration Upper

Concentration Units



# Page 95 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrintResults: The temperature range during the study was 68-78 de g F (20-26 deg C) and the relative humidity was 32-74%. Dietary analysis confirmed that the mixing procedur e produced homogeneous mixtures. Concentration analysis confir med that the diets of appropriate concentrations were administer ed to the test animals. Results of the following are reported in the endpoi nt entry, Repeat Dose Toxicity for this test substance: Morta lity, Physical Examinations, Ophthalmoscopic Examinations, Body We ights, Food Consumption & Test Substance Intake, Motor Activity , Functional Observational Battery, Hematology, and Clinical Che mistry. Results for Organ Weight and Pathology are summariz ed below: Terminal Organ and Body Weights, Organ/Body Weight, and Organ/Brain Weight Ratios Increases in mean kidney weight and the mean kidney /body weight ratio occurred in the 2000 ppm dosage group males. All other organ weights, both absolute and relative to terminal bod y weights for animals in the TCK-treated groups were either compa rable to control data or within the range of normal variabil ity.
Pathology No macroscopic treatment related findings at any do sage group. Microscopic findings considered to be related to ad ministration of the test substance occurred in the kidneys and nasoturbinal tissues in the high dose group. Results Remarks:

Conclusion: There were no gross or histopathologial effects on any of of the reproductive organs examined in this study, at a do se level up to and including 2000 ppm (ca. 211 mg/kg bw/day in mal es and 231 mg/kg bw/day in females). 

### Reliability/Data Quality - Reproductive Toxicity Reliability: 1 - Valid Without Restrictions
Reliability Remarks: The study was conducted according to EPA OTS 798.26 50, 90-Day Oral Toxicity and in compliance with GLP. Key Study Sponsor Indicator: 

### Reference - Reproductive Toxicity Reference: Pannock, K.S., 1994. A subchronic (3-Month) Oral Toxicity/Neurotoxicity Study of Trichloro Ketone (T CK) in the Rat Via Dietary Administration. Final Report. Pharmaco LSR, Inc., Toxicology Services North America. Study No.93-4507 . May 11, 1994. 

# Page 96 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrint

## Developmental Toxicity/Teratogenicity
CAS Number : 145556-04-3
Sponsored Chemical Name : 3-Pentanone, 1,2,4-trichloro-2-methyl

### Test Substance - Developmental Toxicity/Teratogenicity Test Substance: (145556-04-3) 3-Pentanone, 1,2,4-trichloro-2-methyl Test Substance Purity/Composition and Other Test Substance Comments: Trichlorinated ketone, (TCK, Lot B-1190, purity 86. 0%), a brown liquid. The test substance was stored at room tempe rature.

Sponsored Chemical Result Type: 

### Method - Developmental Toxicity/Teratogenicity Route of Administration: Oral
Type of Exposure: Gavage
Species: Rabbit

Mammalian Strain: New Zealand White

Gender: Female

Number of Animals per Dose: 20

Dose: 25, 50, 100 mg/kg/d
Year Study Performed: 1993
Method/Guideline Followed:
GLP: Yes
Exposure Period:
Frequency of Treatment: daily
Post-Exposure Period: 10 Days
Method/Guideline and Test Condition Remarks: This study was conducted on the basis of the requir ements of the U.S. Environmental Protection Agency under the Toxi c Substances Control Act Test Guidelines - Health Effects Testing Guidelines - 798.4900. This purpose of this study was to evaluate the deve lopmental toxicity of the test substance when administered orally via a stoma ch tube to 20 presumed pregnant New Zealand White Rabbits. The en dpoints were both a maternal NOAEL and a fetal development NOAEL
. Each female rabbit was acclimated for approximately one week. After 

# Page 97 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrintthis time, they were randomly assigned to an exposure gr oup and were individually identified with an ear tag. Female rab bits were artificially inseminated to induce pregnancy. The test substance was administered on days 6-18 of presumed gestation at the following doses: 0 (corn oil vehicle control), 25, 50, and 100 mg/kg/d. The dosa ge volume was 1mL/kg and was adjusted daily based on the weight o f the animal. Observations of viability were made at least twice daily. Clinical observations, abortions, premature deliveries, and deaths were recorded immediately before and approximately one hour after each intubation (days 6-18 of gestation). These observations were also ma de during the postintubation period (days 19-29 of gestation) onc e daily. Body weights were recorded once weekly before insemination, on d ay 0, and on days 6-29 of presumed gestation. Female rabbits were housed individually in units of 6 or 8 stainless-steel cages. The cages were changed approximately every o ther week. The study room was supplied with at least 10 air change s per hour of 100% fresh air. During acclimation, each rabbit was given approximately 150 g of Certified Rabbit Chow #5322 daily. Beginning on day 0, each rabbit was given approximately 180 g daily. Water was available ad libitum. The targeted room temperature range was between 61- 72 deg C and the targeted relative humidity range was between 40-60% . These test conditions were continuosly monitored and maintained. A photoperiod of 12 hours light and 12 hours of dark was used. All surviving rabbits were sacrificed by intravenous administration of Beuthanasia-D Special euthanasia solution on day 29 of presumed gestation. The rabbits underwent gross necropsy and the thoracic and abdominal cavities of each rabbit were examined for gross lesions. The number of corpora lutea in each ovary, the number a nd distribution of implantations, early and late resorptions, and live and dead fetuses were all recorded. Each fetus was weighed, sexed, and examin ed for gross external, soft tissues, and skeletal abnormalities. 

### Test Results - Developmental Toxicity/Teratogenicity Concentration (LOAEL/ LOAEC/ NOAEL/ NOAEC) : LOAEL/ LOAEC/ NOAEL/ NOAEC Population Value Description Value/Lower

Concentration Upper

Concentration Units

NOAEL Female

(Maternal) = 50 mg/kg bw/day NOAEL Fetal = 100 mg/kg bw/day

Results Remarks: One doe of the high dose group aborted and was found dead on day 27 of gestation. The death, as well as dried and absent f eces and 

# Page 98 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrintmultiple gastric erosions, were considered effects of the te st substance. No premature deliveries, deaths, or other abortions oc curred during the study. Body Weight The high dose group experienced overall weight loss during the entire dosage period; significant weight loss (P= 0.01) oc curred within the dosage period on days 15-19. Postexposure body weig ht increased on gestation days 19-29. Feed Consumption Absolute (g/day) and relative (g/kg/day) feed consu mption values both decreased for the entire dosage period in the high exposure group. Postexposure, consumption were slightly increased. Maternal Reproductive Effects No treatment related effects were observed on the f ollowing parameters: litter averages for corpora lutea, implantations, litter s izes, live fetuses, resorptions, percent resorbed conceptuses, percent male fetuses and fetal body weights, and the number of does with any resor ptions or does with viable fetuses. No does had a litter of only resorb ed conceptuses, and there were no dead fetuses.
Fetal Developmental Effects No fetal gross external, soft tissue or skeletal ma lformations or variations were observed.

Conclusion: The maternal NOAEL was 50 mg/kg/d based upon the fo llowing effects at 100 mg/kg/d: weight loss and reduced feed consum ption (and in one doe, absent or dried feces, gastric erosions, a bortion and death). The developmental NOAEL is 100 mg/kg/d, as the abortion was a maternal effect and no other adverse effects of t his dose were seen on embryo-fetal viability, body weights, or mo rphology.
Thus, Trichlorinated ketone should not be classifie d as a developmental toxicant because it did not selectively affect the offspring of pregnant rabbits, even at a dosage that caused abortion and death in one doe. 

### Reliability/Data Quality - Developmental Toxicity/Teratogenicity Reliability: 1 - Valid Without Restrictions
Reliability Remarks: This study was conducted in accordance with EPA OTS 798.4900.
Key Study Sponsor Indicator: 

### Reference - Developmental Toxicity/Teratogenicity Reference: Martin, Terry, 1993. Developmental Toxicity (Embryo -Fetal Toxicity and Teratogenic Potential) Study of Trichlorinated Ketone (TCK) Administered Orally Via Stomach Tube to New Zealand White Rabbits. December 14, 1993. Argus Research Laboratories, Inc ., 905 Sheehy Drive, Bldg. A, Horsham, PA 19044-1297. Laboratory Project ID: Protocol Number: 1819-006. 

# Page 99 of 105 High Production Volume Information System (HPVIS) | High Production Volume (HP

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrint

# Page 100 of 105

High Production Volume Information System (HPVIS) | High Production Volume (

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrint

## Developmental Toxicity/Teratogenicity
CAS Number : 145556-04-3
Sponsored Chemical Name : 3-Pentanone, 1,2,4-trichloro-2-methyl

### Test Substance - Developmental Toxicity/Teratogenicity Test Substance: (145556-04-3) 3-Pentanone, 1,2,4-trichloro-2-methyl Test Substance Purity/Composition and Other Test Substance Comments: Trichlorinated ketone (TCK, Lot B-1190, purity 86.0 %), a brown liquid, stored at room temperature.

Sponsored Chemical Result Type: 

### Method - Developmental Toxicity/Teratogenicity Route of Administration: Oral
Type of Exposure: Gavage
Species: Rat

Mammalian Strain: Other

Other Strain: Crl:CDBR VAF/plus

Gender: Female

Number of Animals per Dose: 25

Dose: 125, 250, 500 mg/kg/day
Year Study Performed: 1993
Method/Guideline Followed:
GLP: Yes
Exposure Period:
Frequency of Treatment: daily
Post-Exposure Period: 4 Days
Method/Guideline and Test Condition Remarks: The study was conducted to adhere with the followin g data Requirement: U.S. Environmental Protection Agency Toxic Substanc es Control Act Test Guidelines - Health Effects Testing Guidelines - 79 8.4900. The purpose of this study was to evaluate the devel opmental toxicity of the test substance when administered orally via gavage to 25 presumed 

# Page 101 of 105 High Production Volume Information System (HPVIS) | High Production Volume (

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrintpregnant rats per dosage group. The endpoints were both a maternal NOAEL and a fetal development NOAEL. The study was conducted in two phases. The original study only consisted of Phase I. Phase II was added to confirm whether unexpected dosage- dependent high mortality incidences in the medium and high dosage groups in Phase I were interrelated wit h effects of the test substance or the direct result of intubation accide nts and to provide sufficient numbers of term- pregnant rats with litters to comply with regulatory requirements. Unless otherwi se stated, all experimental procedures were identical in both phas es.
The rats were fed Certified Rodent Chow #5002 and water, which were both available ad libitum. All cages and housing co nditions were in compliance with the Guide for the Care and Use of L aboratory Animals, NIH Publication No. 86-23. Each study room was supp lied with at least 10 air changes of 100% fresh air per hour. The tempera ture and relative humidity were continuously monitored throughout the study. The photoperiod was 12 hours light and 12 hours of dark

. After the acclimation period, 140 virgin females we re placed individually in cages with a breeder male rat. Females were observe d for signs of mating; once mating had occurred (day-0 of gestation), the females were housed individually. Twenty-five females were randomly assigned to one of the following dosage groups thro ugh a computer program and assigned identification numbers: vehicle control (corn oil), 125, 250, and 500 mg/kg/day.
The test substance was held at room temperature tho ughout the study. A duplicate preparation of the bulk test substance an d of each test concentration were taken, one at the beginning of t he study, and another on the last day of dosage. These 5 mL sampl es were shipped at room temperature for analytical verification of concentration. In both phases, the test substance was administered via gavage on days 6-15 of presumed gestation once daily at appro ximately the same time each day. The dosage volume of 10 mL/kg, was individually adjusted based on the individual body weight of eac h rat. In both phases, female rats were observed twice dai ly throughout the study for viability, twice during acclimation, and on day s 0 and 6 of presumed gestation for general appearance. Rats found dead o r moribund were sacrificed and necropsied on the day of death to de termine the cause. The rats were examined for clinical observat ions, abortions, premature deliveries, and/or deaths before and appr oximately 60 minutes after each intubation (days 6 -15 of presumed gestation). These observations were made once daily during the postintubation period of the study (days 16-20 of presumed gestati on). Upon necropsy, the number of corpus lutea in each ovary, the number and distribution of implantations, early and late resor ptions, and the number of live and dead fetuses were recorded. Body weights were recorded twice during acclimation and on days 0 and 6 of presumed gestation and daily during the intubati on period (days 6 through 15 of presumed gestation) and postintubat ion period (days 16 through 20 of presumed gestation). In both phases, all surviving rats were sacrificed by carbon dioxide asphyxiation on day 20 of presumed gestation and su bjected to necropsy. The thoracic and abdominal cavities of each rat wer e opened and examined for gross lesions, the fetus was removed f rom the uterus and was weighed and examined for sex, gross external abnormalities, 

# Page 102 of 105 High Production Volume Information System (HPVIS) | High Production Volume (

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrintand soft tissue or skeletal abnormalities. Administration of the test substance in the high do sage group in Phase II was discontinued on days 8-11 of presumed gestation because the high mortality observed in Phase I was duplicated i n Phase II. 

### Test Results - Developmental Toxicity/Teratogenicity Concentration (LOAEL/ LOAEC/ NOAEL/ NOAEC) : LOAEL/ LOAEC/ NOAEL/ NOAEC Population Value Description Value/Lower

Concentration Upper

Concentration Units

NOAEL Female

(Maternal) = 125 mg/kg bw/day NOAEL Fetal = 250 mg/kg bw/day

Results Remarks: The room temperature was maintained in the range 70 -78 deg F and the relative humidity was maintained between 40-70% . There were no deviations in the environmental parameters during t he study.
All effects observed in Phase I were more severe th an observed in Phase II. Possible explanations for this are minor differ ences in the technical procedures used or in the animal populations.

Phase I Results Intubation accidents resulted in one premature death in the low and medium dosage group and 10 deaths in the high dosage group on days 8-16 of presumed gestation. One moribund animal of the medium dosage group was sacrificed on presumed gestation d ay 13 and also showed sings of an intubation accident. All of thes e deaths were considered to be related to the highly irritant eff ects of TCK. Clinical observations attributable to the test subs tance occurred in the medium and high dosage groups and included: urine stained abdominal fur (high), excess salivation(high), loca lized alocepia (high), soft or liquid feces (high), red perinasal or perioral substance (high), ptosis (high) or emaciation, and finally forelimb and axillary lesions (med, high). All necropsy obse rvations were considered to be a result of the intubation errors. Body weight gains were significantly reduced (P=0.0 1) in all dosage groups, with the most severe effects occurring earl y in the dosage period. In the postdosage period, body weights were comparable to the control group in the low and medium dosage grou ps and were lower than the control in the high exposure group. Absolute (g/day) and relative (g/kg/day) feed consu mption were significantly (P=0.01) reduced in all dosage groups throughout the entire dosage period, this effect was the most seve re early in the dosage period.

Phase II Results Thirteen rats in the high dosage group died on pres umed gestation days 9-14 and one medium dose rat had necropsy obse rvations consistent with an intubation accident. The 13 deaths were judged t o be related to the highly irritating effects of TCK because of the pre sence of gastric lesions in 9 of the animals. Clinical observations attributabl e to the test substance occurred in the medium and high dosage groups and i ncluded: urine 

# Page 103 of 105 High Production Volume Information System (HPVIS) | High Production Volume (

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrintstained abdominal fur (high), excess salivation (me d), localized alocepia (med, high), red perinasal or perioral substance (h igh), dehydration and cold to touch (high), and finally erosions in the f undic mucosa of the stomach (high). Body weight gains were significantly reduced (P=0.0 1) in the medium and high dosage groups during the entire dosage per iod, with the most severe effects occurring early in the dosage p eriod. In the postdosage period, body weights were comparable to the control group in the low and medium dosage groups and lower than the control in the high dosage group. Absolute (g/day) and relative (g/kg/day) feed consu mption were significantly decreased (P=0.5 to P=0.01) in the hi gh dosage group on days 6-20 of gestation.

Overall Results Significantly reduced live litter sizes were observ ed in the high dosage group. Fetal body weights were reduced at the high dose group but this was significant only in Phase II. Small retardation s in fetal ossification, significant in some structures, occurred in the hig h dosage group as well in both phases. No gross external, soft tissue or skeletal malforma tions or gross external or soft tissue variations attributable to the test sub stance occurred in the fetuses in either phase of the study. Conclusion: The maternal NOAEL was 125 mg/kg/day, based upon reduct ions in body weight gain or weight losses and reduced absolute and rela tive feed consumption values in the 250 and 500 mg/kg/day dos age groups. The developmental NOAEL was 250 mg/kg/day, based on an increase in early resorptions, reduced fetal body weights, and delayed fetal ossification in the 500 mg/kg/day dosage group. Thu s, TCK does not selectively effect the offspring of rats. Effects o n development occurred only at the highest of two maternally toxi c doses, 500 mg/kg/day. 

### Reliability/Data Quality - Developmental Toxicity/Teratog enicity Reliability: 1 - Valid Without Restrictions
Reliability Remarks: This study was conducted in accordance with EPA OTS 798.4900.
Key Study Sponsor Indicator: 

### Reference - Developmental Toxicity/Teratogenicity Reference: Martin, Terry, 1993. Developmental Toxicity (Embryo -Fetal Toxicity and Teratogenic Potential) Study of Trichlorinated Ketone (TCK) Administered Orally Via Gavage to Crl:CDBR VAF/Plus Presumed Pregnant Rats. December 14, 1993. Argus Research La boratories, Inc., 905 Sheehy Drive, Bldg A., Horsham, PA 19044- 1297. Laboratory Project ID: Protocol Number: 1819-007. 

# Page 104 of 105 High Production Volume Information System (HPVIS) | High Production Volume (

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrint

## Use Information
CAS Number : 145556-04-3
Sponsored Chemical Name : 3-Pentanone, 1,2,4-trichloro-2-methylTest Substance: (145556-04-3) 3-Pentanone, 1,2,4-trichloro-2-methyl Test Substance Purity/Composition and Other Test Substance Comments: Reference:
Description:

Use Pattern: Trichlorinated ketone is a closed-system intermedia te used in the manufacture of the herbicide dimethenamid. The production volume is between 5 an d 15 million pounds per year; hence TCK is an HPV chemical. Processing occurs in closed systems with no routine exposure possible except for QC sampling. Samples are handled in laboratory settings accordin g to a chemical hygiene plan, and using engineering controls such as fume hoods. Trichlorinated ketone is a relatively non-volatile liquid, so the probabilit y of inhalation exposure is quite low and air monitoring is not warranted. Dermal exposures that might be associated with sampling the materials (an d waste streams) during the manufacturing process are prevented through worker training regarding proper health and safety procedures, the use of proper personal protective equipment (PPE), and engineerin g controls. The vast majority of TCK is converted to the desire d product and the inventory onsite at any one time is small, i.e., less than 250,000 pounds of TCK in a single storage tank. No TCK is present in the final product. The aqueous waste streams are sent to an onsite deep well. There is no organic waste stream for TCK. Potential environmental exposures are limited to spills onsite, which are handled in accordance with recognized emergency response and safety procedures to minimize potential exposures. The use of secondary containment at the manufacturi ng site further limits environmental release. In summary, TCK poses a minimal exposure threat to workers or the environment.



### http://iaspub.epa.gov/hpvis/ServSubmissionPrint Last updated on Wednesday, December 21, 2011 

# Page 105 of 105 High Production Volume Information System (HPVIS) | High Production Volume (

...

12/21/2011 http://iaspub.epa.gov/hpvis/ServSubmissionPrint