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Production Volume (HPV) Challenge High Production Volume Information System (HPVIS) Submission 

Report

Submission Report

Submission Information

Submission ID : 

25337678 

Submission Name : EHPV program submission for PDC CAS # 

89-00-9 

AR Number : 

Chemical Information 

CAS Number : 89-00-9 Ninth Collective Index Name : 2,3-Pyridinedicarboxylic acid 

Supporting Chemicals : (102268-15-5) 2,3-Pyridinedicarboxylic acid, 5-ethylSubmitter 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 : 919-961-0987 

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 

Phone Number : 734-324-6212 

High Production Volume Information System (HPVIS) 

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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 : 

High Production Volume Information System (HPVIS) | High Production Volume (HPV) ...Page 2 of 103

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 Melting Point 

CAS Number : 89-00-9

Sponsored Chemical 

Name : 

2,3-Pyridinedicarboxylic acid

Test Substance - Melting Point

Test Substance: (102268-15-5) 2,3-Pyridinedicarboxylic acid, 5-ethylTest Substance 

Purity/Composition 

and Other Test 

Substance Comments: 

5-ethylpyridine-2,3-dicarboxylic acid 

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 157 °C 

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

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

Experimental Database Structure Match: no data 

SMILES : O=C(c1cc(cnc1C(=O)O)CC)O 

CHEM : 2,3-PYRIDINEDICARBOXYLIC ACID, 5-ETHYLMOL FOR: C9 H9 N1 O4 

MOL WT : 195.18 

------------------------ SUMMARY MPBVP v1.43 --------

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

Boiling Point: 380.01 deg C (Adapted Stein and Brown 

Method) 

Melting Point: 349.84 deg C (Adapted Joback Method) 

Melting Point: 108.23 deg C (Gold and Ogle Method)

Mean Melt Pt : 229.03 deg C (Joback; Gold,Ogle 

Methods) 

Selected MP: 156.55 deg C (Weighted Value) 

Study/Method - Melting Point

Key Study Sponsor 

Indicator: 

Year Study Performed: 

Method/Guideline 

Followed: 

Method/Guideline and 

Test Condition 

Remarks: 

Estimated using MPBPWIN v1.43 in EPIWIN v4.0. 

GLP: Not Applicable 

Study Reference: EPI Suite, U.S. Environmental Protection Agency, 2000

-2007. 

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Reliability/Data Quality - Melting Point

Reliability: 2 - Valid With Restrictions 

Reliability Remarks: Acceptable model used to estimate results. 

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 Melting Point 

CAS Number : 89-00-9

Sponsored Chemical 

Name : 

2,3-Pyridinedicarboxylic acid

Test Substance - Melting Point

Test Substance: (89-00-9) 2,3-Pyridinedicarboxylic acid 

Test Substance 

Purity/Composition 

and Other Test 

Substance Comments: 

Purity of 2,3-pyridinedicarboxylic acid is 99.7%; 

0.2% impurity of 3-pyridinecarboxylic acid (nicotinic 

acid), Lot number 080319 

Sponsored Chemical 

Result Type: 

Measured 

Test Substance Result 

Type: 

Measured 

Results - Melting Point

Melting Indicator: Melts 

Melting Point 

Value/Range 

(Temperature): 

185 - 190 °C 

Results Remarks: Due to a slow temperature rise, the test substance 

formed fine droplets that adhered uniformly to the 

wall of the tube at the beginning of melting until 

all particles became liquid at the end of 

melting. During the determination of the melting 

temperature, the temperatures are recorded at the 

beginning of the melting and at the final stage. The 

melting point range of 2,3-Pyridine Dicarboxylic Acid 

was found to be 185°C - 190°C. 

Study/Method - Melting Point

Key Study Sponsor 

Indicator: 

Key 

Year Study Performed: 2008 

Method/Guideline 

Followed: 

OECD 102 

Method/Guideline and 

Test Condition 

Remarks: 

The test substance is packed into a capillary tube,

fused at one end, to a height of approximately 3 

mm. The measurement is performed by dropping the 

capillary tube containing sample into a melting point 

apparatus. The bath was heated with 

stirring. Watching through a magnified glass, the 

temperature is recorded when the sample begins to 

melt and when it has become completely liquid. 

OECD Guideline for the Testing of Chemicals #102 

Capillary Tube in a Liquid Bath Method using a Thomas 

Hoover Capillary Melting Point Apparatus 

GLP: No 

Study Reference: Drew, M. 2008. Determination of melting point of 2,3

-pyridine dicarboxylic acid by OECD guideline for the 

testing of chemicals #102 capillary tube in a liquid 

bath method. BASF DocID 2008/7009356. BASF 

Corporation, 26 Davis Drive, Research Triangle Park, 

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NC 27709. 

Reliability/Data Quality - Melting Point

Reliability: 1 - Valid Without Restrictions 

Reliability Remarks: 

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 Boiling Point 

CAS Number : 89-00-9

Sponsored Chemical 

Name : 

2,3-Pyridinedicarboxylic acid

Test Substance - Boiling Point

Test Substance: (89-00-9) 2,3-Pyridinedicarboxylic acid 

Test Substance 

Purity/Composition 

and Other Test 

Substance Comments: 

Pyridine-2,3-dicarboxylic acid 

Sponsored Chemical 

Result Type: 

Test Substance Result 

Type: 

Estimated 

Results - Boiling Point

Boiling Indicator: 

Boiling Point 

Value/Range 

(Temperature): 

circa 357 °C 

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

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

Experimental Database Structure Match: 

Name : QUINOLINIC ACID 

CAS Num : 000089-00-9 

Exp MP (deg C): 228.5 

Exp BP (deg C): --- 

Exp VP (mm Hg): --- 

SMILES : O=C(O)c(cccn1)c1C(=O)O 

CHEM : 2,3-Pyridinedicarboxylic acid 

MOL FOR: C7 H5 N1 O4 

MOL WT : 167.12 

------------------------ SUMMARY MPBVP v1.43 --------

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

Boiling Point: 356.81 deg C (Adapted Stein and Brown 

Method) 

Melting Point: 327.17 deg C (Adapted Joback Method) 

Melting Point: 94.68 deg C (Gold and Ogle Method)

Mean Melt Pt : 210.92 deg C (Joback; Gold,Ogle 

Methods) 

Selected MP: 141.18 deg C (Weighted Value) 

Study/Method - Boiling Point

Key Study Sponsor 

Indicator: 

Year Study Performed: 

Method/Guideline 

Followed: 

Method/Guideline and 

Test Condition 

Remarks: 

Estimation using MPBPWIN v1.43 in EPIWIN 

v4.0. Measured data for melting point and water 

solubility were entered; for all other input 

parameters, the default values in EPIWIN were used. 

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GLP: Not Applicable 

Study Reference: EPI Suite, U.S. Environmental Protection Agency, 2000

-2007. 

Reliability/Data Quality - Boiling Point

Reliability: 2 - Valid With Restrictions 

Reliability Remarks: Acceptable model used for estimation. 

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 Boiling Point 

CAS Number : 89-00-9

Sponsored Chemical 

Name : 

2,3-Pyridinedicarboxylic acid

Test Substance - Boiling Point

Test Substance: (102268-15-5) 2,3-Pyridinedicarboxylic acid, 5-ethylTest Substance 

Purity/Composition 

and Other Test 

Substance Comments: 

5-ethylpyridine-2,3-dicarboxylic acid 

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 380 °C 

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

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

Experimental Database Structure Match: no data 

SMILES : O=C(c1cc(cnc1C(=O)O)CC)O 

CHEM : 2,3-PYRIDINEDICARBOXYLIC ACID, 5-ETHYLMOL FOR: C9 H9 N1 O4 

MOL WT : 195.18 

------------------------ SUMMARY MPBVP v1.43 --------

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

Boiling Point: 380.01 deg C (Adapted Stein and Brown 

Method) 

Melting Point: 349.84 deg C (Adapted Joback Method) 

Melting Point: 108.23 deg C (Gold and Ogle Method)

Mean Melt Pt : 229.03 deg C (Joback; Gold,Ogle 

Methods) 

Selected MP: 156.55 deg C (Weighted Value) 

Study/Method - Boiling Point

Key Study Sponsor 

Indicator: 

Year Study Performed: 

Method/Guideline 

Followed: 

Method/Guideline and 

Test Condition 

Remarks: 

Estimated using MPBPWIN v1.43 in EPIWIN v4.0. 

GLP: Not Applicable 

Study Reference: EPI Suite, U.S. Environmental Protection Agency, 2000

-2007. 

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Reliability/Data Quality - Boiling Point

Reliability: 2 - Valid With Restrictions 

Reliability Remarks: Acceptable model used to estimate results. 

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 Vapor Pressure 

CAS Number : 89-00-9

Sponsored Chemical 

Name : 

2,3-Pyridinedicarboxylic acid

Test Substance - Vapor Pressure

Test Substance: (89-00-9) 2,3-Pyridinedicarboxylic acid 

Test Substance 

Purity/Composition 

and Other Test 

Substance Comments: 

Pyridine-2,3-dicarboxylic acid 

Sponsored Chemical 

Result Type: 

Test Substance Result 

Type: 

Estimated 

Results - Vapor Pressure

Vapor Pressure 

Value/Range 

(Pressure): 

circa 2.59E-6 hPa @ Temperature: 25 °C 

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

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

Experimental Database Structure Match: 

Name : QUINOLINIC ACID 

CAS Num : 000089-00-9 

Exp MP (deg C): 228.5 

Exp BP (deg C): --- 

Exp VP (mm Hg): --- 

SMILES : O=C(O)c(cccn1)c1C(=O)O 

CHEM : 2,3-Pyridinedicarboxylic acid 

MOL FOR: C7 H5 N1 O4 

MOL WT : 167.12 

------------------------ SUMMARY MPBVP v1.43 --------

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

Boiling Point: 356.81 deg C (Adapted Stein and Brown 

Method) 

Melting Point: 327.17 deg C (Adapted Joback Method) 

Melting Point: 94.68 deg C (Gold and Ogle Method)

Mean Melt Pt : 210.92 deg C (Joback; Gold,Ogle 

Methods) 

Selected MP: 141.18 deg C (Weighted Value) 

Vapor Pressure Estimations (25 deg C): 

(Using BP: 356.81 deg C (estimated)) 

(Using MP: 185.00 deg C (user entered)) 

VP: 8.28E-007 mm Hg (Antoine Method) 

: 0.00011 Pa (Antoine Method) 

VP: 1.94E-006 mm Hg (Modified Grain Method) 

: 0.000259 Pa (Modified Grain Method) 

VP: 4.73E-006 mm Hg (Mackay Method) 

: 0.00063 Pa (Mackay Method) 

Selected VP: 1.94E-006 mm Hg (Modified Grain Method) 

: 0.000259 Pa (Modified Grain Method) 

Subcooled liquid VP: 9.1E-005 mm Hg (25 deg C, ModGrain method) 

: 0.0121 Pa (25 deg C, Mod-Grain method) 

Study/Method - Vapor Pressure

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Key Study Sponsor 

Indicator: 

Year Study Performed: 

Method/Guideline 

Followed: 

Method/Guideline and 

Test Condition 

Remarks: 

Estimation using MPBPWIN v1.43 in EPIWIN v4.0. 

Measured data for melting point and water solubility 

were entered; for all other input parameters, the 

default values in EPIWIN were used 

GLP: Not Applicable 

Study Reference: EPI Suite, U.S. Environmental Protection Agency, 2000

-2007. 

Reliability/Data Quality - Vapor Pressure

Reliability: 2 - Valid With Restrictions 

Reliability Remarks: Acceptable model used for estimation. 

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 Vapor Pressure 

CAS Number : 89-00-9

Sponsored Chemical 

Name : 

2,3-Pyridinedicarboxylic acid

Test Substance - Vapor Pressure

Test Substance: (102268-15-5) 2,3-Pyridinedicarboxylic acid, 5-ethylTest Substance 

Purity/Composition 

and Other Test 

Substance Comments: 

5-ethylpyridine-2,3-dicarboxylic acid 

Sponsored Chemical 

Result Type: 

See Test Plan and Category Analysis 

Test Substance Result 

Type: 

Estimated 

Results - Vapor Pressure

Vapor Pressure 

Value/Range 

(Pressure): 

circa 1.51E-6 hPa 

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

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

Experimental Database Structure Match: no data 

SMILES : O=C(c1cc(cnc1C(=O)O)CC)O 

CHEM : 2,3-PYRIDINEDICARBOXYLIC ACID, 5-ETHYLMOL FOR: C9 H9 N1 O4 

MOL WT : 195.18 

------------------------ SUMMARY MPBVP v1.43 --------

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

Boiling Point: 380.01 deg C (Adapted Stein and Brown 

Method) 

Melting Point: 349.84 deg C (Adapted Joback Method) 

Melting Point: 108.23 deg C (Gold and Ogle Method)

Mean Melt Pt : 229.03 deg C (Joback; Gold,Ogle 

Methods) 

Selected MP: 156.55 deg C (Weighted Value) 

Vapor Pressure Estimations (25 deg C): 

(Using BP: 380.01 deg C (estimated)) 

(Using MP: 156.55 deg C (estimated)) 

VP: 3.45E-007 mm Hg (Antoine Method) 

: 4.59E-005 Pa (Antoine Method) 

VP: 1.14E-006 mm Hg (Modified Grain Method) 

: 0.000152 Pa (Modified Grain Method) 

VP: 2.56E-006 mm Hg (Mackay Method) 

: 0.000341 Pa (Mackay Method) 

Selected VP: 1.14E-006 mm Hg (Modified Grain Method) 

: 0.000152 Pa (Modified Grain Method) 

Subcooled liquid VP: 2.53E-005 mm Hg (25 deg C, ModGrain method) 

: 0.00337 Pa (25 deg C, Mod-Grain method) 

Study/Method - Vapor Pressure

Key Study Sponsor 

Indicator: 

Year Study Performed: 

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Method/Guideline 

Followed: 

Method/Guideline and 

Test Condition 

Remarks: 

Estimated using MPBPWIN v1.43 in EPIWIN v4.0. 

GLP: Not Applicable 

Study Reference: EPI Suite, U.S. Environmental Protection Agency, 2000

-2007. 

Reliability/Data Quality - Vapor Pressure

Reliability: 2 - Valid With Restrictions 

Reliability Remarks: Acceptable model used to estimate results. 

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 Partition Coefficient 

CAS Number : 89-00-9

Sponsored Chemical 

Name : 

2,3-Pyridinedicarboxylic acid

Test Substance - Partition Coefficient

Test Substance: (89-00-9) 2,3-Pyridinedicarboxylic acid 

Test Substance 

Purity/Composition 

and Other Test 

Substance Comments: 

Pyridine-2,3-dicarboxylic acid 

Sponsored Chemical 

Result Type: 

Test Substance Result 

Type: 

Estimated 

Results - Partition Coefficient

Partition Coefficient 

Value/Range 

(Log Kow): 

circa -0.12 

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

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

Log Kow(version 1.67 estimate): -0.12 

SMILES : O=C(O)c(cccn1)c1C(=O)O 

CHEM : 2,3-Pyridinedicarboxylic acid 

MOL FOR: C7 H5 N1 O4 

MOL WT : 167.12 

-------+-----+---------------------------------------

-----+---------+-------- 

TYPE | NUM | LOGKOW FRAGMENT 

DESCRIPTION | COEFF | VALUE 

-------+-----+---------------------------------------

-----+---------+-------- 

Frag | 5 | Aromatic 

Carbon | 0.2940 | 1.4700 

Frag | 1 | Aromatic 

Nitrogen |-0.7324 | -0.7324 

Frag | 2 | -COOH [acid, aromatic 

attach] |-0.1186 | -0.2372 

Factor| 2 | Ring reaction -> ortho to aromatic

acid |-0.3425 | -0.6850 

Factor| 1 | Pyridine ring (nonfused) correction |-0.1621 | -0.1621 

Const | | Equation 

Constant | | 0.2290 

-------+-----+---------------------------------------

-----+---------+-------- 

Log Kow = -0.1177 

Study/Method - Partition Coefficient

Key Study Sponsor 

Indicator: 

Year Study Performed: 

Method/Guideline 

Followed: 

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Method/Guideline and 

Test Condition 

Remarks: 

Estimation using KOWWIN v1.67 in EPIWIN v4.0. 

Measured data for melting point and water solubility 

were entered; for all other input parameters, the 

default values in EPIWIN were used. 

GLP: Not Applicable 

Study Reference: EPI Suite, U.S. Environmental Protection Agency, 2000

-2007. 

Reliability/Data Quality - Partition Coefficient

Reliability: 2 - Valid With Restrictions 

Reliability Remarks: Acceptable model used for estimation. 

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 Partition Coefficient 

CAS Number : 89-00-9

Sponsored Chemical 

Name : 

2,3-Pyridinedicarboxylic acid

Test Substance - Partition Coefficient

Test Substance: (102268-15-5) 2,3-Pyridinedicarboxylic acid, 5-ethylTest Substance 

Purity/Composition 

and Other Test 

Substance Comments: 

5-ethylpyridine-2,3-dicarboxcylic acid 

Sponsored Chemical 

Result Type: 

See Test Plan and Category Analysis 

Test Substance Result 

Type: 

Estimated 

Results - Partition Coefficient

Partition Coefficient 

Value/Range 

(Log Kow): 

circa 0.92 @ Temperature: 25 °C 

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

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

Log Kow(version 1.67 estimate): 0.92 

SMILES : O=C(c1cc(cnc1C(=O)O)CC)O 

CHEM : 2,3-PYRIDINEDICARBOXYLIC ACID, 5-ETHYLMOL FOR: C9 H9 N1 O4 

MOL WT : 195.18 

-------+-----+---------------------------------------

-----+---------+-------- 

TYPE | NUM | LOGKOW FRAGMENT 

DESCRIPTION | COEFF | VALUE 

-------+-----+---------------------------------------

-----+---------+-------- 

Frag | 1 | -CH3 [aliphatic 

carbon] | 0.5473 | 0.5473 

Frag | 1 | -CH2- [aliphatic 

carbon] | 0.4911 | 0.4911 

Frag | 5 | Aromatic 

Carbon | 0.2940 | 1.4700 

Frag | 1 | Aromatic 

Nitrogen |-0.7324 | -0.7324 

Frag | 2 | -COOH [acid, aromatic 

attach] |-0.1186 | -0.2372 

Factor| 2 | Ring reaction -> ortho to aromatic

acid |-0.3425 | -0.6850 

Factor| 1 | Pyridine ring (nonfused) correction |-0.1621 | -0.1621 

Const | | Equation 

Constant | | 0.2290 

-------+-----+---------------------------------------

-----+---------+-------- 

Log Kow = 0.9207 

Study/Method - Partition Coefficient

Key Study Sponsor 

Indicator: 

Year Study Performed: 

Method/Guideline 

Followed: 

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Method/Guideline and 

Test Condition 

Remarks: 

Estimated using KOWWIN v1.67 in EPIWIN v4.0. 

GLP: Not Applicable 

Study Reference: 

Reliability/Data Quality - Partition Coefficient

Reliability: 2 - Valid With Restrictions 

Reliability Remarks: Acceptable model used to estimate results. 

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 Water Solubility 

CAS Number : 89-00-9

Sponsored Chemical 

Name : 

2,3-Pyridinedicarboxylic acid

Test Substance - Water Solubility

Test Substance: (102268-15-5) 2,3-Pyridinedicarboxylic acid, 5-ethylTest Substance 

Purity/Composition 

and Other Test 

Substance Comments: 

5-ethylpyridine-2,3-dicarboxclic acid 

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 7573 mg/L @ Temperature: 25 °C 

pH Value: 

pKa - Protein Kinase: 

pH Value at 

Saturation: 

Results Remarks: Water Sol from Kow (WSKOW v1.41) Results: 

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

Water Sol: 7573 mg/L 

SMILES : O=C(c1cc(cnc1C(=O)O)CC)O 

CHEM : 2,3-PYRIDINEDICARBOXYLIC ACID, 5-ETHYLMOL FOR: C9 H9 N1 O4 

MOL WT : 195.18 

---------------------------------- WSKOW v1.41 

Results ------------------------ 

Log Kow (estimated) : 0.92 

Log Kow (experimental): not available from database 

Log Kow used by Water solubility estimates: 0.92 

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 

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

Acid, aromatic 0.000 

Log Water Solubility (in moles/L) : -1.411 

Water Solubility at 25 deg C (mg/L): 7573 

Study/Method - Water Solubility

Key Study Sponsor 

Indicator: 

Year Study Performed: 

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Method/Guideline 

Followed: 

Method/Guideline and 

Test Condition 

Remarks: 

Estimated using WSKOW v1.41 in EPIWIN v4.0. 

GLP: Not Applicable 

Study Reference: EPI Suite, U.S. Environmental Protection Agency, 2000

-2007. 

Reliability/Data Quality - Water Solubility

Reliability: 2 - Valid With Restrictions 

Reliability Remarks: Acceptable model used to estimate results. 

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 Water Solubility 

CAS Number : 89-00-9

Sponsored Chemical 

Name : 

2,3-Pyridinedicarboxylic acid

Test Substance - Water Solubility

Test Substance: (89-00-9) 2,3-Pyridinedicarboxylic acid 

Test Substance 

Purity/Composition 

and Other Test 

Substance Comments: 

2,3-Pyridine Dicarboxylic Acid - Aceto Corporation 

Lot 080319 and Purity of 99.7%. 3-pyridinecarboxylic 

acid (nicotinic acid) is present in the test 

substance at 0.2%. 

Sponsored Chemical 

Result Type: 

Measured 

Test Substance Result 

Type: 

Measured 

Results - Water Solubility

Water Solubility 

Indicator: 

Soluble 

Water Solubility 

Value/Range 

(Solubility): 

= 9.56 g/L @ Temperature: 22 °C 

pH Value: Value/Lower Range: = 2.53 

pKa - Protein Kinase: 

pH Value at 

Saturation: 

Results Remarks: The water solubility determined in the preliminary 

test was 9.35 g/L. 

The water solubility determined in the Flask Method

was based upon an average of three measurements: 

24 hr: 9.78 g/L 

48 hr: 9.48 g/L 

36 hr: 9.43 g/L 

density H2O at 22°C = 0.9978 g/mL 

Average Conc. (g/L) = 9.56 

Average Conc. (%) = 0.96 

The 24 hr. sample prep pH = 2.53. 

Study/Method - Water Solubility

Key Study Sponsor 

Indicator: 

Key 

Year Study Performed: 2008 

Method/Guideline 

Followed: 

OECD 105 

Method/Guideline and 

Test Condition 

Remarks: 

The water solubility for 2,3-Pyridine Dicarboxylic 

Acid (PDC) was determined using OECD Guideline 105 

using the Flask Method. A preliminary test was used

to estimate the quantity of PDC needed to saturate a 

known volume of water. The final test was conducted

by accurately weighing 5g of PDC into each of three

100 mL volumetric flasks that were diluted to volume 

with distilled deionized water. Each flask was placed 

on a magnetic stir plate. After 24 hours stirring, 

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one flask was filtered, diluted, and assayed using 

HPLC. The other two flasks were treated similarly and 

tested at intervals of 48 and 36 hours. All testing

was conducted at ambient termperature (22°C). The 

water solubility was calculated based on comparison

of a standard of known purity using an external 

standard calculation. The test is considered 

satisfactory when the concentrations measured in at

least the last two test flasks do not differ by more 

than 15%. 

GLP: No 

Study Reference: Drew, M. 2008. Determination of water solubility of

2,3-pyridine dicarboxylic acid by OECD guideline for 

the testing of chemicals #105 flask method. BASF 

DocID 2008/7009357. BASF Corporation, 26 Davis Drive, 

Research Triangle Park, NC 27709. 

Reliability/Data Quality - Water Solubility

Reliability: 1 - Valid Without Restrictions 

Reliability Remarks: 

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 Photodegradation 

CAS Number : 89-00-9

Sponsored Chemical 

Name : 

2,3-Pyridinedicarboxylic acid

Test Substance - Photodegradation

Test Substance: (102268-15-5) 2,3-Pyridinedicarboxylic acid, 5-ethylTest Substance 

Purity/Composition 

and Other Test 

Substance Comments: 

5-ethylpyridine-2,3-dicarboxylic acid 

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: = 4.787 Days 

Rate Constant: = .0000000000022342 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(c1cc(cnc1C(=O)O)CC)O 

CHEM : 2,3-PYRIDINEDICARBOXYLIC ACID, 5-ETHYLMOL FOR: C9 H9 N1 O4 

MOL WT : 195.18 

------------------- SUMMARY (AOP v1.92): HYDROXYL 

RADICALS (25 deg C) -------- 

Hydrogen Abstraction = 1.1013 E-12 

cm3/molecule-sec 

Reaction with N, S and -OH = 1.0400 E-12 

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cm3/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 = 0.0929 E-12 

cm3/molecule-sec 

Addition to Fused Rings = 0.0000 E-12 

cm3/molecule-sec 

OVERALL OH Rate Constant = 2.2342 E-12 cm3/molecule

-sec 

HALF-LIFE = 4.787 Days (12-hr day; 1.5E6 OH/cm3) 

HALF-LIFE = 57.450 Hrs 

Study/Method - Photodegradation

Key Study Sponsor 

Indicator: 

Year Study Performed: 

Method/Guideline 

Followed: 

Deviations from 

Method/Guideline: 

Method/Guideline 

Description: 

Estimated using AOP Program v1.92 in EPIWIN v4.0. 

Method/Guideline and 

Test Condition 

Remarks: 

GLP: Not Applicable 

Study Reference: EPI Suite, U.S. Environmental Protection Agency, 2000

-2007. 

Reliability/Data Quality - Photodegradation

Reliability: 2 - Valid With Restrictions 

Reliability Remarks: Acceptable model used to estimate results. 

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 Photodegradation 

CAS Number : 89-00-9

Sponsored Chemical 

Name : 

2,3-Pyridinedicarboxylic acid

Test Substance - Photodegradation

Test Substance: (89-00-9) 2,3-Pyridinedicarboxylic acid 

Test Substance 

Purity/Composition 

and Other Test 

Substance Comments: 

Pyridine-2,3-dicarboxylic acid 

Sponsored Chemical 

Result Type: 

Test Substance Result 

Type: 

Estimated 

Results - Photodegradation

Photodegradation 

Result Description: 

Indirect Photolysis 

Photodegradation 

Value/Range: 

Half Life: = 9.928 Days 

Rate Constant: .0000000000010774 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(O)c(cccn1)c1C(=O)O 

CHEM : 2,3-Pyridinedicarboxylic acid 

MOL FOR: C7 H5 N1 O4 

MOL WT : 167.12 

------------------- SUMMARY (AOP v1.92): HYDROXYL 

RADICALS (25 deg C) -------- 

Hydrogen Abstraction = 0.0000 E-12 

cm3/molecule-sec 

Reaction with N, S and -OH = 1.0400 E-12 

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cm3/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 = 0.0374 E-12 

cm3/molecule-sec 

Addition to Fused Rings = 0.0000 E-12 

cm3/molecule-sec 

OVERALL OH Rate Constant = 1.0774 E-12 cm3/molecule

-sec 

HALF-LIFE = 9.928 Days (12-hr day; 1.5E6 OH/cm3) 

HALF-LIFE = 119.134 Hrs 

Study/Method - Photodegradation

Key Study Sponsor 

Indicator: 

Year Study Performed: 

Method/Guideline 

Followed: 

Deviations from 

Method/Guideline: 

Method/Guideline 

Description: 

Estimation using AOP Program v1.92 in EPIWIN v4.0. 

Measured data for melting point and water solubility 

were entered; for all other input parameters, the 

default values in EPIWIN were used. 

Method/Guideline and 

Test Condition 

Remarks: 

GLP: Not Applicable 

Study Reference: EPI Suite, U.S. Environmental Protection Agency, 2000

-2007. 

Reliability/Data Quality - Photodegradation

Reliability: 2 - Valid With Restrictions 

Reliability Remarks: Acceptable model used for estimation. 

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 Stability in Water 

CAS Number : 89-00-9

Sponsored Chemical 

Name : 

2,3-Pyridinedicarboxylic acid

Test Substance - Stability In Water

Test Substance: (89-00-9) 2,3-Pyridinedicarboxylic acid 

Test Substance 

Purity/Composition 

and Other Test 

Substance Comments: 

Pyridine, 2,3-dicarboxySponsored Chemical 

Result Type: 

Test Substance Result 

Type: 

Results - Stability In Water

Stability in Water 

Result Description: 

Stability in Water 

Value/Range: 

pH Value: 

Hydrolysis Indicator: 

Preliminary Test: 

Effect : Half-Life @ pH Value 

 

 

 

 

 

Breakdown Products 

Description: 

Results Remarks: pK1 = 2.43 

pK2 = 5.06 

Study/Method - Stability In Water

Key Study Sponsor 

Indicator: 

Year Study Performed: 

Method/Guideline 

Followed: 

Deviations from 

Method/Guideline: 

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Method/Guideline 

Description: 

Method/Guideline and 

Test Condition 

Remarks: 

GLP: 

Study Reference: 

Reliability/Data Quality - Stability In Water

Reliability: 

Reliability Remarks: Perrin, D.D., 1972. Dissociation Constants of Organic 

Bases in Aqueous Solution: Supplement 1972. IUPAC, 

Analytical Chemistry Division, Butterworths, London. 

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 Transport Between Environmental Compartments 

Fugacity/Dist 

CAS Number : 89-00-9

Sponsored Chemical 

Name : 

2,3-Pyridinedicarboxylic acid

Test Substance - Transport Between Environmental Compartments 

Fugacity/Dist

Test Substance: (102268-15-5) 2,3-Pyridinedicarboxylic acid, 5-ethylTest Substance 

Purity/Composition 

and Other Test 

Substance 

Comments: 

5-ethylpyridine-2,3-dicarboxylic acid 

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 : 2,3-PYRIDINEDICARBOXYLIC ACID, 5-ETHYLMolecular Wt: 195.18 

Henry's LC : 4.18e-015 atm-m3/mole (Henrywin program) 

Vapor Press : 1.14e-006 mm Hg (Mpbpwin program) 

Liquid VP : 2.28e-005 mm Hg (super-cooled) 

Melting Pt : 157 deg C (Mpbpwin program) 

Log Kow : 0.92 (Kowwin program) 

Soil Koc : 122 (KOCWIN MCI method) 

Mass Amount Half-Life Emissions 

(percent) (hr) (kg/hr) 

Air 3.62e-008 115 1000 

Water 16.3 900 1000 

Soil 83.6 1.8e+003 1000 

Sediment 0.127 8.1e+003 0 

Fugacity Reaction Advection 

Reaction Advection 

(atm) (kg/hr) (kg/hr) (percent) 

(percent) 

Air 2.14e-018 1.07e-005 1.78e-005 3.58e007 5.93e-007 

Water 8.58e-020 617 801 

20.6 26.7 

Soil 1.52e-018 1.58e+003 0 

52.7 0 

Sediment 8.53e-020 0.535 0.125 

0.0178 0.00417 

Persistence Time: 1.64e+003 hr 

Reaction Time: 2.24e+003 hr 

Advection Time: 6.13e+003 hr 

Percent Reacted: 73.3 

Percent Advected: 26.7 

Half-Lives (hr), (based upon Biowin (Ultimate) and 

Aopwin): 

Air: 114.9 

Water: 900 

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Soil: 1800 

Sediment: 8100 

Biowin estimate: 2.655 (weeks-months) 

Advection 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 115 3.62E-8 3.58E-7 5.93E-7

Water 1000 900 16.3 20.6 26.7

Soil 1000 1800 18.6 52.7 0

Sediment 8100 0.127 0.0178 0.00417

Temperature: 

Level of Multi-media 

Model: 

III 

Model Input (Water 

Solubility): 

Model Input (Vapor 

Pressure): 

Model Input (log 

Kow): 

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: 

Method/Guideline 

Followed: 

Deviations from 

Method/Guideline: 

Method/Guideline 

Description: 

Fugacity was determined using EQC Level III model as 

found in EPIWIN v4.0. Equal emission to air, water,

and soil were assumed. 

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Method/Guideline 

and 

Test Condition 

Remarks: 

GLP: Not Applicable 

Study Reference: EPI Suite, U.S. Environmental Protection Agency, 2000-

2007. 

Reliability/Data Quality - Transport Between Environmental 

Compartments Fugacity/Dist

Reliability: 2 - Valid With Restrictions 

Reliability Remarks: Acceptable model used to estimate results. 

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 Transport Between Environmental Compartments 

Fugacity/Dist 

CAS Number : 89-00-9

Sponsored Chemical 

Name : 

2,3-Pyridinedicarboxylic acid

Test Substance - Transport Between Environmental Compartments 

Fugacity/Dist

Test Substance: (89-00-9) 2,3-Pyridinedicarboxylic acid 

Test Substance 

Purity/Composition 

and Other Test 

Substance 

Comments: 

Pyridine-2,3-dicarboxylic acid 

Sponsored Chemical 

Result Type: 

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 : 2,3-Pyridinedicarboxylic acid 

Molecular Wt: 167.12 

Henry's LC : 2.86e-015 atm-m3/mole (Henrywin program) 

Vapor Press : 1.94e-006 mm Hg (Mpbpwin program) 

Liquid VP : 7.42e-005 mm Hg (super-cooled) 

Melting Pt : 185 deg C (user-entered) 

Log Kow : -0.12 (Kowwin program) 

Soil Koc : 39.8 (KOCWIN MCI method) 

Mass Amount Half-Life Emissions 

(percent) (hr) (kg/hr) 

Air 5.58e-008 238 1000 

Water 22.9 360 1000 

Soil 77 720 1000 

Sediment 0.0798 3.24e+003 0 

Fugacity Reaction Advection 

Reaction Advection 

(atm) (kg/hr) (kg/hr) (percent) 

(percent) 

Air 1.71e-018 3.45e-006 1.18e-005 1.15e007 3.95e-007 

Water 4.17e-020 938 487 

31.3 16.2 

Soil 1.24e-018 1.57e+003 0 

52.5 0 

Sediment 3.71e-020 0.363 

0.0339 0.0121 0.00113 

Persistence Time: 708 hr 

Reaction Time: 846 hr 

Advection Time: 4.36e+003 hr 

Percent Reacted: 83.8 

Percent Advected: 16.2 

Half-Lives (hr), (based upon Biowin (Ultimate) and 

Aopwin): 

Air: 238.3 

Water: 360 

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Soil: 720 

Sediment: 3240 

Biowin estimate: 2.791 (weeks ) 

Advection 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 238 5.58E-8 1.15E-7 3.95E-7

Water 1000 360 22.9 31.3 16.2

Soil 1000 720 77 52.5 0

Sediment 3240 0.0798 0.0121 0.00113

Temperature: 

Level of Multi-media 

Model: 

III 

Model Input (Water 

Solubility): 

Model Input (Vapor 

Pressure): 

Model Input (log 

Kow): 

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: 

Method/Guideline 

Followed: 

Deviations from 

Method/Guideline: 

Method/Guideline 

Description: 

Fugacity was determined using EQC Level III model as 

found in EPIWIN 

v4.0. Equal emission to air, soil, and water were 

assumed. Measured data for melting point and water 

solubility were entered; for all other parameters, the

default values in EPIWIN were used. 

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Method/Guideline 

and 

Test Condition 

Remarks: 

GLP: Not Applicable 

Study Reference: EPI Suite, U.S. Environmental Protection Agency, 2000-

2007. 

Reliability/Data Quality - Transport Between Environmental 

Compartments Fugacity/Dist

Reliability: 2 - Valid With Restrictions 

Reliability Remarks: Acceptable model used for estimation. 

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 Biodegradation 

CAS Number : 89-00-9

Sponsored Chemical 

Name : 

2,3-Pyridinedicarboxylic acid

Test Substance - Biodegradation

Test Substance: (89-00-9) 2,3-Pyridinedicarboxylic acid 

Test Substance 

Purity/Composition 

and Other Test 

Substance Comments: 

2,3-pyridinedicarboxylic acid, obtained from either

the Aldrich Chemical Co. or Fluka AG. 

Sponsored Chemical 

Result Type: 

Test Substance Result 

Type: 

Measured 

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: 

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Theoretical Oxygen 

Demand: 

Chemical Oxygen 

Demand: 

Control Substance 

Remarks: 

Breakdown Products 

Description: 

Results Remarks: The test substance underwent complete decomposition

between 4 and 8 days under aerobic conditions and 

between 16 and 32 days in anaerobic conditions. 

Study/Method - Biodegradation

Key Study Sponsor 

Indicator: 

Year Study Performed: 1972 

Method/Guideline 

Followed: 

Deviations from 

Method/Guideline: 

Method/Guideline 

Description: 

Persistence of the test substance was measured in 

enrichment cultures by testing a 1 mM solution in an 

aqueous suspension of 0.5% fertile garden 

soils, 20 ppm of Difco yeast extract, Oxoid peptone

and glucose, 4 ppm 

(NH4)2SO4 and 180 ppm KH2PO4 adjusted to pH 7.0 with 

KOH. The suspensions were incubated in culture tubes 

with caps either looselycapped (aerobic) or tightlycapped (anaerobic). At approximate intervals of 2, 4, 

8, 16, 32, 64, 128, 160, and 256 d samples were 

diluted, filtered, and analyzed via spectrophotometry 

in the wavelength range 210 - 330 nm. The spectra 

were compared to similar solutions to which 200 ppm

HgCl2 was added to suppress microbial activity. 

Method/Guideline and 

Test Condition 

Remarks: 

38 pyridine derivatives were tested for 

biodegradation under both aerobic and anaerobic 

conditions and for phytotoxicity. The phytoxicity 

results are not discussed here. 

GLP: No 

Study Reference: Naik, N.M., Jackson, R.B., Stokes, J., and Swaby, 

R.J. 1972. Microbial degradation and phytotoxicity of 

picloram and other substituted pyridines. Soil Biol. 

Biochem; 4:313-323. 

Reliability/Data Quality - Biodegradation

Reliability: 2 - Valid With Restrictions 

Reliability Remarks: Not performed according to standard biodegradation 

method; however, the 

methods and results are presented in detail. 

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 Biodegradation 

CAS Number : 89-00-9

Sponsored Chemical 

Name : 

2,3-Pyridinedicarboxylic acid

Test Substance - Biodegradation

Test Substance: (89-00-9) 2,3-Pyridinedicarboxylic acid 

Test Substance 

Purity/Composition 

and Other Test 

Substance Comments: 

2,3-pyridinedicarboxylic acid, obtained from Aldrich 

Chemical Company. 

Sponsored Chemical 

Result Type: 

Test Substance Result 

Type: 

Measured 

Results - Biodegradation

Biodegradability 

Indicator: 

Effect : Concentration 

Value 

Time 

in 

Days 

Biodegradation 

Value 

Biodegradation 

Value 

Range 

 

 

 

 

 

Half Life: 

Rate Constant: 

Temperature: 24 °C 

Incubation Condition: Aerobic 

Inoculum Type: Other 

Inoculum 

Concentration: 

Inoculum Remarks: 

Pre-Exposure 

Indicator: 

Pre-Exposure 

Remarks: 

Theoretical Carbon 

DiOxide: 

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Theoretical Oxygen 

Demand: 

Chemical Oxygen 

Demand: 

Control Substance 

Remarks: 

Breakdown Products 

Description: 

Results Remarks: 100 % loss of the test substance in 5 d was 

determined via UV analysis of 

the supernatant from the soil suspension. 81% 

degradation was 

determined based on the release of inorganic nitrogen 

species into the 

supernatant from the soil suspension. Less than 1% 

volatilized during the 

28 d. The pH was maintained at 7.0 throughout the 

incubation. 

Study/Method - Biodegradation

Key Study Sponsor 

Indicator: 

Year Study Performed: 1986 

Method/Guideline 

Followed: 

Deviations from 

Method/Guideline: 

Method/Guideline 

Description: 

Soil was added to nutrient solution in 500 mL 

Erlenmeyer flasks plugged with polyurethane foam 

stoppers. The nutrient solution consisted of: 150 mL 

of basal salts medium amended with 10 mg/L yeast 

extract and 13 mM K2HPO4-KH2PO4 buffer adjusted to pH 

7.0. The foam stoppers were autoclaved and extracted 

with 2 M KCl prior to use to prevent release of 

compounds interfering with the UV analysis of 

pyridine derivatives. The test substance was 

simultaneously sterilized and solubilized by the 

addition of 2.25 mmol to a sterile screw-top tube 

containing 5 g 95% ethanol and diluting with 5 g 

sterile H2O. The solution was adjusted to pH 6 to 8

with 1 M KOH and brought to a total of weight of 15 g 

(150 mmol/kg solution) with sterile H2O. 

One mL (~ 1 g) of the test substance was added to 

replicate flasks of nutrient medium to give a final

substrate concentration of approximately 1 mM. The 

flasks were inoculated with 1 mL of a dilute soil 

suspension and were incubated with continuous shaking 

at 24 deg C for 30 d. 

Subsamples were removed from each flask before and 

after inoculation and throughout the inoculation. 

Samples were centrifuged for 20 min at 20,000 and the 

supernatant was diluted with 33 mM KH2PO4 buffer (pH 

5) for analysis to eliminate any pH changes induced

by microbial growth in the flasks. 

The test substance was measured by a Cary 17D 

spectrophotometer in the wavelength range 240 - 340

nm. Quantification was achieved by comparison with 

the absorbance values obtained with a calibration 

curve. The test substance was extracted from the foam 

stoppers three times with 30 mL 2 M KCl-0.01 M HCl to 

determine the amount volatilized. The samples were 

diluted to 100 mL and analyzed by UV 

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spectrophotometry as the previously discussed 

samples. The amount of nitrogen (ammonia, nitrate, 

nitrite) after 30 d was determined by UV 

spectrophotometry at wavelength 425 nm. The soils 

suspension solution was acidified to pH 2.0 with HCl 

and centrifuged at 15,000 g for 30 min; 50 mL samples 

were then placed in a distillation unit, brought to

pH 7.0 with KOH and steam-distilled with MgO. Fortyfive mL of distillate was collected in 0.3 M H3BO3,

diluted to 50 mL with deionized water and treated 

with 2 mL Nessler reagent. 

Method/Guideline and 

Test Condition 

Remarks: 

This study tested 28 pyridine derivatives for 

biodegradation. 

GLP: No Data 

Study Reference: Sims, G.K., Sommers, L.E. 1986. Biodegradation of 

pyridine derivatives in soil 

suspensions. Environmental Toxicology and Chemistry; 

5:503-509. 

Reliability/Data Quality - Biodegradation

Reliability: 2 - Valid With Restrictions 

Reliability Remarks: The methodology and results are reported in full 

detail. While not performed in accordance with an EPA 

method, appropriate checks have been run in this 

experiment to ensure the validity of the data 

presented. 

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 Biodegradation 

CAS Number : 89-00-9

Sponsored Chemical 

Name : 

2,3-Pyridinedicarboxylic acid

Test Substance - Biodegradation

Test Substance: (102268-15-5) 2,3-Pyridinedicarboxylic acid, 5-ethylTest Substance 

Purity/Composition 

and Other Test 

Substance Comments: 

The test substance, 5-ethylpyridine-2,3-dicarboxylic 

acid, CAS# 102268-15-5, Batch Identification 

6116H01HZ, Test substance No. 06/0188-1, had 

a purity of 99.8%. 

Sponsored Chemical 

Result Type: 

See Test Plan and Category Analysis 

Test Substance Result 

Type: 

Measured 

Results - Biodegradation

Biodegradability 

Indicator: 

No Degradation Observed 

Effect : Concentration 

Value 

Time 

in 

Days 

Biodegradation 

Value 

Biodegradation 

Value 

Range 

 

 

 

 

 

Half Life: 

Rate Constant: 

Temperature: 

Incubation Condition: Aerobic 

Inoculum Type: Activated Sludge, Domestic 

Inoculum 

Concentration: 

Inoculum Remarks: Concentration: 

20 mg/L related to DOC (Dissolved Organic Carbon); 36 

mg/L related to test substance 

Pre-Exposure 

Indicator: 

Pre-Exposure 

Remarks: 

Theoretical Carbon 

DiOxide: 

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Theoretical Oxygen 

Demand: 

Chemical Oxygen 

Demand: 

Control Substance 

Remarks: 

Breakdown Products 

Description: 

Results Remarks: The degree of biodegradation measured in %DOC after

28 days was 

calculated to be <10%. To obtain this value the 

biodegradation of the 

blank control was subtracted from the values obtained 

for the test 

substances. 

Kinetic of the test substance 

05 days -2% 

10 days -9% 

14 days -10% 

21 days -8% 

28 days -21% 

The test meets the following validity requirements:

The deviation of the degradation of the test 

substance in the plateau phase 

was <20%. The degradation of the reference substance 

was >70% DOC after 14 days. The degradation in the 

inhibition control was >35% DOC after 14 days. 

Study/Method - Biodegradation

Key Study Sponsor 

Indicator: 

Year Study Performed: 2007 

Method/Guideline 

Followed: 

OECD 301A 

Deviations from 

Method/Guideline: 

Method/Guideline 

Description: 

Methods were carried out in accordance with OECD 

Guideline 301A. 

The DOC Die Away test was performed in 2L conical 

flasks filled up to a 

volume of 1000mL. The mineral medium used was in 

accordance with the 

guideline. DOC concentration of the test substance 

stock solution was 

determined. The DOC of the reference substance was 

calculated as theoretical organic carbon (THOC). The 

test vessels were shaken at a temperature of 22 +/- 2 

deg C at 150 oscillations per minute. 

The following vessels were run in this experiment: 

two flasks containing the 

test substance at a concentration of approximately 20 

mg/L DOC and the inoculum, and 2 blanks (medium + 

inoculum). In addition, an inhibition 

flask, an abiotic control, an adsorption control, and 

a reference substance 

flask were all run for a total of 8 flasks. 

The DOC of each test flask was measured at the 

beginning of the 28 days. 

Samples were centrifuged and the concentration of DOC 

determined in the 

supernatant. DOC measurements were made twice per 

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week and compared to the DOC concentrations at the 

beginning of the experiment. The decrease of DOC 

concentration was expressed as percent biodegradation 

and plotted on a biodegradation curve. 

The temperature was maintained at 22 +/- 2 deg C. 

Method/Guideline and 

Test Condition 

Remarks: 

GLP: Yes 

Study Reference: Schwarz, H. 2007. Determination of the 

Biodegradability in the DOC Die-Away Test, Report. 

BASF Aktiengesellschaft. Experimental Toxicology and 

Ecology. 67056 Ludwigshafen, Germany. Project No.: 

21G0188/063133. 

Reliability/Data Quality - Biodegradation

Reliability: 1 - Valid Without Restrictions 

Reliability Remarks: 

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 Biodegradation 

CAS Number : 89-00-9

Sponsored Chemical 

Name : 

2,3-Pyridinedicarboxylic acid

Test Substance - Biodegradation

Test Substance: (89-00-9) 2,3-Pyridinedicarboxylic acid 

Test Substance 

Purity/Composition 

and Other Test 

Substance Comments: 

2,3-Pyridine Dicarboxylic Acid (PDC), Batch ID # 

080319, Purity of 99.7%, 

Sponsored Chemical 

Result Type: 

Measured 

Test Substance Result 

Type: 

Measured 

Results - Biodegradation

Biodegradability 

Indicator: 

Readily Biodegradable 

Effect : Concentration 

Value 

Time 

in 

Days 

Biodegradation 

Value 

Biodegradation 

Value 

Range 

 = % TCO2 80 - 90 

 

 

 

 

Half Life: 

Rate Constant: 

Temperature: 

Incubation Condition: 

Inoculum Type: Activated Sludge 

Inoculum 

Concentration: 

30 mg/L 

Inoculum Remarks: Municipal activated sludge from the wastewater 

treatment plant of Mannheim/Baden Wurttemberg in 

Germany was used. The inoculum was collected on 01

December 2008 from the aeration tank of the plant and 

aerated in the laboratory until use. A suitable 

aliquot of the acivated sludge suspension was sieved 

by a finely woven mesh with a mesh size of about 1 

mm. After settling the supernatant was discarded and 

the sludge suspension was filled up with tap 

water. The sludge of the suspension was adjusted to 

a concentration of 6.0 g/L dry weight. An aliquot of 

7.5 mL was added to the test vessels, to obtain a 

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sludge concentration of 30 mg/L dry 

substance. Finally the activated sludge suspension

in the test vessels was pre-aerated for about 24 

hours at a temp of 22 +/- 2 deg C. 

Pre-Exposure 

Indicator: 

Pre-Exposure 

Remarks: 

Theoretical Carbon 

DiOxide: 

Theoretical Oxygen 

Demand: 

Chemical Oxygen 

Demand: 

Control Substance 

Remarks: 

Theoretical Organic Carbon for the reference 

substance (aniline) is 312 mg/L 

Breakdown Products 

Description: 

Results Remarks: Biodegradation degree: 80-90% CO2/ThCO2 after an 

exposure period of 28 days (mean value from two test 

assays). 

Degradation Degree: 

Duration of the adaption phase (days)= 4 

Degradation of the test subst. at the end of the 10-

day window and at the end of the exposure (% 

CO2/ThCO2)= 80-90 

Degradation degree of the reference substance, 

aniline, after 14-days (%CO2/ThCO2) = 81 

Degradation degree in the inhibition control after 14

-days (% CO2/ThCO2) = 79 

Test Temperature = 22 +/- 2 deg C. 

Total Organic Carbon (TOC) = 503 mg/g 

Study/Method - Biodegradation

Key Study Sponsor 

Indicator: 

Key 

Year Study Performed: 2009 

Method/Guideline 

Followed: 

OECD 301B 

Deviations from 

Method/Guideline: 

Method/Guideline 

Description: 

Mixtures of the test substance, a defined inorganic

medium and a non pre-adapted inoculum (municipal 

activated sludge from the wastewater treatment plant 

of Mannheim/Baden Wurttemberg in Germany) are 

incubated and aerated at up to 28 days. The 

biologically produced carbon dioxide is trapped and

measured. The biodegradation degree is expressed as

produced carbon dioxide in relation to the calculated 

theoretical amount of formed carbon dioxide value 

(ThCO2) using the initial concentration of total 

organic carbon of the test substance (TOC). 

Method/Guideline and 

Test Condition 

Remarks: 

The test was performed in 2 L incubation bottles 

filled to a volume of 1.5 L. The bottles were 

connected to two serial scrubbing bottles filled with 

sodium hydroxide solution for adsorption of carbon 

dioxide. Usually twice per week the Total Inorganic

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Carbon of the adsorption solutions was determined. 

Test flasks were as follows: 2 blank controls, 3 test 

substance, 1 inhibition control and 1 reference 

substance. One of the test substance flasks was used 

for measurement of pH then discarded. 

The test substance concentration was 20 mg/L Total 

Organic Carbon. 

Analysis of TIC and DOC were performed using a TOC 

analyzer with an auto sampler. 

GLP: Yes 

Study Reference: Schwarz, H. 2009. 2,3-Pyridine dicarboxylic acid 

(PDC) Determination of the biodegradability in the 

CO2-evolution test. BASF DocID 2009/1009298. BASF

Corporation, 63461 Missouri, USA. 

Reliability/Data Quality - Biodegradation

Reliability: 1 - Valid Without Restrictions 

Reliability Remarks: 

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 Stability in Soil 

CAS Number : 89-00-9

Sponsored Chemical 

Name : 

2,3-Pyridinedicarboxylic acid

Test Substance - Stability In Soil

Test Substance: (89-00-9) 2,3-Pyridinedicarboxylic acid 

Test Substance 

Purity/Composition 

and Other Test 

Substance Comments: 

2,3-pyridinedicarboxylic acid, obtained from Aldrich 

Chemical Company. 

Sponsored Chemical 

Result Type: 

Test Substance Result 

Type: 

Measured 

Results - Stability In Soil

Test Results: A sample analyzed on day 0 had 90.9% of the initial

amount of test 

substance remaining. A sample frozen on day 0 and 

analyzed on day 64 

had 85.1% of the initial test substance remaining. 

On days 1, 2, and 4, the percent of added test 

substance that was successfully extracted and 

analyzed was 64.9, 3.8, and 0.5% respectively. On 

days 8, 16, 32, and 64 the amount present was below

the limit of detection. 

The inorganic nitrogen percent accumulation was 2.0, 

48.3, 62.2, and 78.3% of degraded test substance on

days 0, 16, 32 and 64 respectively. Thus, it can be

seen that in general the % remaining is inversely 

correlated with the nitrogen accumulation in the 

soil. 

Temperature: 25 °C 

Results Remarks: This study tested many substituted pyridine 

derivatives for biodegradation. 

The conclusion was that carboxylic acid derivatives

are apparently the most labile and are more readily

degraded in culture than other pyridine derivatives. 

Study/Method - Stability In Soil

Key Study Sponsor 

Indicator: 

Year Study Performed: 1985 

Method/Guideline 

Followed: 

Deviations from 

Method/Guideline: 

Method/Guideline 

Description: 

Method/Guideline and 

Test Condition 

Remarks: 

Soil treated with 2 mmol/kg of the test substance was 

incubated in 100 mL 

glass vials at 25 deg C for 0 to 64 days. 

The soil had the following characteristics: 

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pH: 6.72 (1:2 soil-water ratio) 

organic carbon content: 12 g/kg 

total nitrogen content: 1300 mg/kg 

CEC: 0.15 mol (+)/kg 

moisture content: 0.25 kg H2O/kg dry soil at -0.03 

MPa 

The experiment was run in triplicate. The second 

setup was prepared by adding 1.1 mL of water and 0.1 

mL of the test substance to an incubation vessel and 

then adding 10 g of soil. The stock solution used to 

prepare the vessels was 200 mmol/kg dissolved in 

water and ethanol (2:1, v/v). The incubation vessels 

were plugged with 2.5 cm thick polyurethane foam 

stoppers. 

At 3-4 day intervals, the incubation vessels were 

adjusted for loss of 0.3-0.4 g H2O. The test 

substance was extracted from the vessels on days: 

0,1, 2, 4, 8, 16, 32, and 64. The foam stopper and 

soil were extracted separately for the test 

substance. Processing of the samples took more than a 

full day; because of this and the fact that there 

were 2 samples to analyze for each test duration; 

samples were stored at -20 deg C for a few days prior 

to extraction. A second replicate was taken at 0 days 

and stored at -20 deg C for the duration of the 64 

days to assess the effect of storage on N content and 

recovery of the test substance. 

40 mL of 2M KCl + 0.01M HCl was added to the vessel

to extract the test substance. The vessels were 

sealed and shaken for 30 min at 23 deg C. 

Samples were removed and centrifuged for 20 min at 

20000 g. The supernatant was analyzed by UV 

spectroscopy at 340-240 nm). Duplicates treated 

identically to the test samples except no test 

substance was added were also analyzed by UV to 

correct for interference from UV-absorbing 

components. 

The foam plugs were analyzed at days 32 and 64 for 

volatilization of the test substance. The inorganic

nitrogen content of the soil was measured at days 0, 

16, 32, and 64 to confirm the degradation of the test

substance. 

GLP: No Data 

Study Reference: Sims, G.K., and L.E. Sommers. 1985. Degradation of 

pyridine derivatives in soil. J. Environ. Qual. 

14:580-4. 

Reliability/Data Quality - Stability In Soil

Reliability: 2 - Valid With Restrictions 

Reliability Remarks: The methodology and results are reported in full 

detail. While not performed in accordance with an EPA 

method, appropriate checks have been run in this 

experiment to ensure the validity of the data 

presented. 

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 Acute Toxicity to Aquatic Vertebrates 

CAS Number : 89-00-9

Sponsored 

Chemical Name : 

2,3-Pyridinedicarboxylic acid

Test Substance - Acute Toxicity To Aquatic Vertebrates

Test Substance: (102268-15-5) 2,3-Pyridinedicarboxylic acid, 5-ethylTest Substance 

Purity/Composition 

and Other Test 

Substance 

Comments: 

2,3-pyridinedicarboxylic acid, 5-ethyl 

Sponsored 

Chemical Result 

Type: 

See Test Plan and Category Analysis 

Test Substance 

Result Type: 

Estimated 

Method - Acute Toxicity To Aquatic Vertebrates

Year Study 

Performed: 

Method/Guideline 

Followed: 

Other 

Method/Guideline: 

Deviations from

Method/Guideline: 

Species: Other 

Other Species: freshwater fish 

GLP: Not Applicable 

Analytical 

Monitoring: 

Test Type: 

Test Vessel: 

Water Media Type: 

Test 

Concentrations: 

Nominal and 

Measured 

Concentrations: 

Exposure Period: 

Vehicle Used: 

Vehicle Name: 

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Vehicle Amount 

and Units: 

Alkalinity: 

Dissolved Oxygen: 

pH Value: 

Test Temperature 

and Units: 

Photo 

(Light/Dark): 

Salinity: 

TOC: 

Water Hardness: 

Method/Guideline 

Test Conditions 

Remarks: 

Estimation using ECOSAR v1.00 in EPIWIN v4.0. 

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 220 mg/L 

 

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Results Remarks: The estimated 96 h LC50 for freshwater fish was 220 mg/L using ECOSAR v1.00 in EPIWIN 

v4.0, based upon the Pyridine-alpha-Acid ECOSAR class. 

--------- 

ECOSAR Program (v1.00) Results: 

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

SMILES : O=C(c1cc(cnc1C(=O)O)CC)O 

CHEM : 2,3-PYRIDINEDICARBOXYLIC ACID, 5-ETHYLCAS Num: 

ChemID1: 

ChemID2: 

ChemID3: 

MOL FOR: C9 H9 N1 O4 

MOL WT : 195.18 

Log Kow: 0.92 (KowWin estimate) 

Melt Pt: 

Wat Sol: 7573 mg/L (WskowWin estimate) 

ECOSAR v1.00 Class(es) Found 

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

Pyridine-alpha-Acid 

Predicted 

ECOSAR Class Organism Duration End Pt mg/L (ppm) 

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

Pyridine-alpha-Acid : Fish 96-hr LC50 220.325 

Pyridine-alpha-Acid : Fish ChV 18.532 ! 

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

Neutral Organic SAR : Fish 96-hr LC50 1231.489 

(Baseline Toxicity) : Daphnid 48-hr LC50 623.688 

: Green Algae 96-hr EC50 172.678 

: Fish ChV 119.727 

: Daphnid ChV 47.597 

: Green Algae ChV 51.315 

Reliability/Data Quality - Acute Toxicity To Aquatic Vertebrates

Reliability: 2 - Valid With Restrictions 

Reliability 

Remarks: 

Acceptable model used for estimation. 

Key Study Sponsor 

Indicator: 

Reference - Acute Toxicity To Aquatic Vertebrates

Reference: EPI Suite, U.S. Environmental Protection Agency, 2000-2007. 

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 Acute Toxicity to Aquatic Vertebrates 

CAS Number : 89-00-9

Sponsored 

Chemical Name : 

2,3-Pyridinedicarboxylic acid

Test Substance - Acute Toxicity To Aquatic Vertebrates

Test Substance: (89-00-9) 2,3-Pyridinedicarboxylic acid 

Test Substance 

Purity/Composition 

and Other Test 

Substance 

Comments: 

Pyridine-2,3-dicarboxylic acid 

Sponsored 

Chemical Result 

Type: 

Test Substance 

Result Type: 

Estimated 

Method - Acute Toxicity To Aquatic Vertebrates

Year Study 

Performed: 

Method/Guideline 

Followed: 

Other 

Method/Guideline: 

Deviations from

Method/Guideline: 

Species: Other 

Other Species: freshwater fish 

GLP: Not Applicable 

Analytical 

Monitoring: 

Test Type: 

Test Vessel: 

Water Media Type: 

Test 

Concentrations: 

Nominal and 

Measured 

Concentrations: 

Exposure Period: 

Vehicle Used: 

Vehicle Name: 

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Vehicle Amount 

and Units: 

Alkalinity: 

Dissolved Oxygen: 

pH Value: 

Test Temperature 

and Units: 

Photo 

(Light/Dark): 

Salinity: 

TOC: 

Water Hardness: 

Method/Guideline 

Test Conditions 

Remarks: 

Estimation using ECOSAR Program v1.00 in EPIWIN v4.0. Measured data for melting point 

and water solubility were entered; for all other input parameters, the default values 

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 920 mg/L 

 

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Results Remarks: ECOSAR Program v1.00 predicts a 96-hour LC50 value for fish of 920 mg/L, using the 

Pyridine-alpha-Acid ECOSAR class. 

________ 

ECOSAR Program (v1.00) Results: 

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

SMILES : O=C(O)c(cccn1)c1C(=O)O 

CHEM : 2,3-Pyridinedicarboxylic acid 

CAS Num: 

ChemID1: 

ChemID2: 

ChemID3: 

MOL FOR: C7 H5 N1 O4 

MOL WT : 167.12 

Log Kow: -0.12 (KowWin estimate) 

Melt Pt: 185.00 deg C 

Wat Sol: 9560 mg/L (measured) 

ECOSAR v1.00 Class(es) Found 

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

Pyridine-alpha-Acid 

Predicted 

ECOSAR Class Organism Duration End Pt mg/L (ppm) 

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

Pyridine-alpha-Acid : Fish 96-hr LC50 919.623 

Pyridine-alpha-Acid : Fish ChV 93.387 ! 

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

Neutral Organic SAR : Fish 96-hr LC50 7975.012 

(Baseline Toxicity) : Daphnid 48-hr LC50 3562.477 

: Green Algae 96-hr EC50 644.137 

: Fish ChV 793.343 

: Daphnid ChV 226.263 

: Green Algae ChV 158.360 

Reliability/Data Quality - Acute Toxicity To Aquatic Vertebrates

Reliability: 2 - Valid With Restrictions 

Reliability 

Remarks: 

Acceptable model used for estimation. 

Key Study Sponsor 

Indicator: 

Reference - Acute Toxicity To Aquatic Vertebrates

Reference: EPI Suite, U.S. Environmental Protection Agency, 2000-2007. 

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 Acute Toxicity to Aquatic Invertebrates 

CAS Number : 89-00-9

Sponsored 

Chemical Name : 

2,3-Pyridinedicarboxylic acid

Test Substance - Acute Toxicity To Aquatic Invertebrates

Test Substance: (89-00-9) 2,3-Pyridinedicarboxylic acid 

Test Substance 

Purity/Composition 

and Other Test 

Substance 

Comments: 

Pyridine-2,3-dicarboxylic acid 

Sponsored 

Chemical Result 

Type: 

Test Substance 

Result Type: 

Estimated 

Method - Acute Toxicity To Aquatic Invertebrates

Year Study 

Performed: 

Method/Guideline 

Followed: 

Other 

Method/Guideline: 

Deviations from

Method/Guideline: 

Species/In Vitro 

System: 

Daphnia sp. 

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: 

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Dissolved Oxygen: 

pH Value: 

Test Temperature 

and Units: 

Photo 

(Light/Dark): 

Salinity: 

TOC: 

Water Hardness: 

Method/Guideline 

Test Conditions 

Remarks: 

Estimation using ECOSAR Program v1.00 in EPIWIN v4.0. Measured data used for melting 

point and water solubility; for all other input parameters, the default values in 

EPIWIN were used. 

Limit Test: 

Test Results - Acute Toxicity To Aquatic Invertebrates

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 3562 mg/L 

 

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Results Remarks: ECOSAR Program v1.00 predicts the following 48-hour LC50 value for Daphnids: 3562 mg/L. 

----------- 

ECOSAR Program (v1.00) Results: 

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

SMILES : O=C(O)c(cccn1)c1C(=O)O 

CHEM : 2,3-Pyridinedicarboxylic acid 

CAS Num: 

ChemID1: 

ChemID2: 

ChemID3: 

MOL FOR: C7 H5 N1 O4 

MOL WT : 167.12 

Log Kow: -0.12 (KowWin estimate) 

Melt Pt: 185.00 deg C 

Wat Sol: 9560 mg/L (measured) 

ECOSAR v1.00 Class(es) Found 

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

Pyridine-alpha-Acid 

Predicted 

ECOSAR Class Organism Duration End Pt mg/L (ppm) 

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

Pyridine-alpha-Acid : Fish 96-hr LC50 919.623 

Pyridine-alpha-Acid : Fish ChV 93.387 ! 

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

Neutral Organic SAR : Fish 96-hr LC50 7975.012 

(Baseline Toxicity) : Daphnid 48-hr LC50 3562.477 

: Green Algae 96-hr EC50 644.137 

: Fish ChV 793.343 

: Daphnid ChV 226.263 

: Green Algae ChV 158.360 

Reliability/Data Quality - Acute Toxicity To Aquatic Invertebrates

Reliability: 2 - Valid With Restrictions 

Reliability 

Remarks: 

Acceptable model used for estimation. 

Key Study Sponsor 

Indicator: 

Reference - Acute Toxicity To Aquatic Invertebrates

Reference: EPI Suite, U.S. Environmental Protection Agency, 2000-2007. 

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 Acute Toxicity to Aquatic Invertebrates 

CAS Number : 89-00-9

Sponsored 

Chemical Name : 

2,3-Pyridinedicarboxylic acid

Test Substance - Acute Toxicity To Aquatic Invertebrates

Test Substance: (102268-15-5) 2,3-Pyridinedicarboxylic acid, 5-ethylTest Substance 

Purity/Composition 

and Other Test 

Substance 

Comments: 

The test substance, 5-ethylpyridine-2,3-dicarboxylic acid , had the following 

test substance ID: CL 271,197. Batch Number AC8884-54B. Purity = 99.1%. Stored under 

refrigeration. Expiration Date: 12-Apr-2000. 

Sponsored 

Chemical Result 

Type: 

See Test Plan and Category Analysis 

Test Substance 

Result Type: 

Measured 

Method - Acute Toxicity To Aquatic Invertebrates

Year Study 

Performed: 

2000 

Method/Guideline 

Followed: 

EPA OPP 72-2 

Other 

Method/Guideline: 

Deviations from

Method/Guideline: 

Species/In Vitro 

System: 

Daphnia magna 

GLP: Yes 

Analytical 

Monitoring: 

Yes 

Test Type: Static 

Test Vessel: Open 

Water Media Type: Freshwater 

Test 

Concentrations: 

Nominal and 

Measured 

Concentrations: 

nominal test concentrations: 6.25, 12.5, 25, 50, and 100 mg test substance/L 

Initial test concentrations measured 99.4 to 116.4% of the nominal concentrations, 48 

hour test concentrations measured 111.2 to 126.6% of 

nominal. 

No test substance was found in the untreated controls. 

Exposure Period: 48 Hours 

Vehicle Used: 

Vehicle Name: 

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Vehicle Amount 

and Units: 

Alkalinity: ca. 125 mg/L as CaCO3 

Dissolved Oxygen: 

pH Value: Value/Lower Range: = 6.2 Upper Range: 7.1 

Test Temperature 

and Units: 

Value/Lower Range: 20.3 Upper Range: 22.1 °C 

Photo 

(Light/Dark): 

16/8 

Salinity: 

TOC: 

Water Hardness: 171 mg/L 

Method/Guideline 

Test Conditions 

Remarks: 

This experiment was carried out in accordance with the procedures 

outlined in the protocol "Acute Toxicity of CL 271,197 to Daphnia magna 

Under Static Test Conditions." This protocol was based on procedures 

outlined by the OECD Guidelines for the Testing of Chemicals 202, the 

Official Journal of the European Communities Test C.2 "Acute Toxicity for 

Daphnia" and, the USEPA Series 72 of the Pesticide Assessment Guidelines, FIFRA 

Subdivision E, Hazard Evaluation: Wildlife and Aquatic Organisms. 

The test vessels were 250 mL glass beakers filled with 200 mL of test 

water. The dilution water was hard reconstituted water prepared by adding 

appropriate chemicals to water that was dimineralized by reverse osmosis. 

The dilution water had a hardness, alkalinity, and specific conductance of 

ca. 171 mg/L as CaCO3, ca. 125 mg/L as CaCO3, and 591 uS/cm, respectively. 

Five nominal test concentrations were used in this study in addition to a 

negative dilution water control. Each treatment and control group was 

performed in duplicate with 10 daphnids in each test vessel for a total of 20 

daphnids per test concentration (120 daphnids in all). A previously conducted screening 

test allowed the following nominal test concentrations to be selected in this study: 

6.25, 12.5, 25, 50, and 100 mg test substance/L. Mean test concentrations were 

determined by samples taken from each test and control vessel at the beginning and end 

of the study. 

All daphnids were provided by in-house culture. The adults were cultured 

for 21 days and were free of any abnormalities. Daphnid neonates (<24 hours old) were 

indiscriminately assigned to test chambers. These test chambers were then 

indiscriminately assigned to test vessels within 1 hour of test vessel preparation. The 

daphnids were fed a mixture of yeast, Cerophyll, and trout chow, as well as a 

suspension of the freshwater algae Selenastrum capricornutum. Adults were fed three 

times per week prior to the test and neonates were not fed during the test. 

Observations were recorded at approximately 3, 24, and 48 hours of the exposure. Test 

results were determined by visual inspection of the mortality, immobility, and 

observation data. 

Test vessels were sampled at test initiation and test completion. These samples were 

frozen and analyzed according to a validated analytical method. 

Air temperature was continuously monitored. The pH of the test solutions 

was measured at the beginning and end of the test. Hardness, alkalinity, 

and specific conductance were measured in the untreated dilution water at 

test initiation. 

Limit Test: No 

Test Results - Acute Toxicity To Aquatic Invertebrates

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NOEC Exposure 

Duration: 

 48 Hours 

NOEC: = 50 mg/L Nominal 

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 % > 100 mg/L Nominal 

 

Results Remarks: The air temperature ranged from 20.3 to 22.1 deg C in the test chamber. The pH ranged 

from 6.2 to 7.1. 

Initial test concentrations measured 99.4 to 116.4% of the nominal 

concentrations, 48 hour test concentrations measured 111.2 to 126.6% of 

nominal. No test substance was found in the untreated control vessels. 

Among the test and control vessels, the largest increase in pH was only 0.3 

from the beginning to the end. Temperature ranged from 20.3 to 22.1 deg 

C in the test chamber. Dissolved oxygen was not able to be measured as a result of a 

malfunctioning meter. 

Nine daphnids in untreated control 1A died. Most of these deaths are attributable to 

their repeated exposure to the malfunctioning DO meter probe. No mortalities were 

observed in any other control or test beaker, which suggests that these deaths are all 

attributable to the DO meter probe 

and therefore, data from control 1A was not used in the evaluation of the 

test. 

There was one mortality in the 100 mg test substance/L treatment. No mortality, 

immobility, or other effects were observed in any other test 

vessel. 

The 48-hour EC50 value was calculated to be >100 mg test substance/L 

(highest concentration tested). Based on the mortality/immobility data, the 

48-hour no-mortality/immobility concentration and the NOEC were 50 mg test substance/L. 

The estimated 48 h LC50 for daphnids is 14.901 g/L using ECOSAR v0.99h found in EPIWIN 

v3.20. 

Reliability/Data Quality - Acute Toxicity To Aquatic Invertebrates

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Reliability: 1 - Valid Without Restrictions 

Reliability 

Remarks: 

The test adhered to guideline requirements with no major deviations. The 

test met the validity criteria that not more than 10% of the control should be 

immobilized; however, the DO was not able to be measured because of 

malfunctioning DO meter probe. The DO was assumed to be in the acceptable range as no 

daphnids exhibited signs of hypoxic conditions. 

Key Study Sponsor 

Indicator: 

Key 

Reference - Acute Toxicity To Aquatic Invertebrates

Reference: Mulligan, E. 2000. Acute Toxicity of CL 271,197 to Daphnia magna Under Static Test 

Conditions. American Cyanamid Company. Global Agricultural Products Research Division, 

Princeton, NJ 08543-0400. Performing Laboratory: American Cyanamid Company, 

Ecotoxicology Laboratory Facility, Global Laboratory Products Research Division. P.O. 

Box 400, Princeton, NJ 08543-0400. Laboratory Project Identification ETX-99-132. 

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 Acute Toxicity to Aquatic Plants 

CAS Number : 89-00-9

Sponsored 

Chemical Name : 

2,3-Pyridinedicarboxylic acid

Test Substance - Acute Toxicity To Aquatic Plants

Test Substance: (102268-15-5) 2,3-Pyridinedicarboxylic acid, 5-ethylTest Substance 

Purity/Composition 

and Other Test 

Substance 

Comments: 

The test substance, 5-ethylpyridine-2,3-dicarboxylic acid (C9H9NO4), CL 271,191, had 

a purity of 99.1%. 

Sponsored 

Chemical Result 

Type: 

See Test Plan and Category Analysis 

Test Substance 

Result Type: 

Measured 

Method - Acute Toxicity To Aquatic Plants

Year Study 

Performed: 

2000 

Method/Guideline 

Followed: 

Other 

Other 

Method/Guideline: 

EPA Pesticide Assessment Guidelines, Subdivision J, Non-target 

Deviations from 

Method/Guideline: 

Species: Selenastrum sp. 

GLP: Yes 

Analytical 

Monitoring: 

Yes 

Test Type: 

Test Vessel: 

Water Media Type: 

Test 

Concentrations: 

Nominal and 

Measured 

Concentrations: 

nominal test concentrations of: 0 (control), 6.5, 13, 25, 50, and 100 mg test 

substance/L, selected on the basis of a 120 hour range finding test. 

Analytical verification of the nominal concentrations gave the following 

mean of 0 and 120-h concentrations: 0, 6.87, 12.7, 24.9, 49.8, and 98.9 mg 

test substance/L, which reflects a range of 98 to 106% of the nominal 

concentrations. Control samples were below the limit of quantification 

(5.00 mg test substance/L). 

Exposure Period: 120 Hours 

Vehicle Used: 

Vehicle Name: 

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Vehicle Amount 

and Units: 

Alkalinity: 

Dissolved Oxygen: 

pH Value: Value/Lower Range: = 3.6 Upper Range: 7.4 

Test Temperature 

and Units: 

Value/Lower Range: 24 Upper Range: 24.2 °C 

Photo 

(Light/Dark): 

Salinity: 

TOC: 

Water Hardness: 

Method/Guideline 

Test Conditions 

Remarks: 

The test was designed to comply with methods outlined in: Pesticide Assessment 

Guidelines, Subdivision J, Hazard Evaluation: Nontarget Plants; the Official Journal 

of the European Communities Test C.3 "Algal Inhibition Test" (EC, 1992); and the 

Organization for Economic Cooperation and Development (OECD) Guidelines for the 

Testing of Chemicals Guideline 201 (OECD, 1984). The exposure period was 120 hours. 

Endpoints (NOEC, EC50, EbC50, ErC50) were determined based on the cell concentration 

(cells/mL), biomass (area under the growth curve), and growth rate and were 

calculated at 48, 72, 96, and 120-hrs. 

The test medium used for the acclimation of Selenastrum and for all toxicity 

testing was sterile synthetic medium adjusted to a pH 7.5 +/- 0.1 with 0.1N HCl. 

All algae used in the test were originally obtained from University of Texas 

at Austin. The algae were transferred to sterile enriched medium identical 

to the test medium used in this experiment and maintained at test conditions prior 

to the beginning of the test. At the initiation of testing the inoculum was 10 days 

old and actively growing. 

Stock solution was prepared in medium and used to prepare the nominal test 

concentrations of: 0 (control), 6.5, 13, 25, 50, and 100 mg test substance/L, 

selected on the basis of a 120 hour range finding test. 

Approximately 3,000 algal cells/mL were placed into four replicates of controls and 

test treatments. An extra control vessel was run solely for pH 

determination at 72 hours. Another extra vessel with a nominal concentration of 25 

mg test substance/L was run alongside the test vessels as a stability control. These 

two vessels were not inoculated with algae. The test vessels were 250 mL Erlenmeyer 

flasks capped with inverted glass beakers to allow mass transfer of CO2 into the 

test vessels. The vessels were randomly assigned positions on a rotary shaker 

operating at 100 rpm. The vessels were repositioned once per day by hand. The test 

temperature was maintained at 24 +/- 2 deg C. 

The parent solutions were sampled at the beginning of the test and samples were 

collected from pooled replicate vessels at the end of the test. 

Analytical verification of exposure concentrations was performed by the 

Sponsor using analytical method titled: Validation and analytical procedure 

for the determination of CL 271,197 in Selenastrum capricornutum Algal media. 

Temperature of the incubator was measured with a thermometer and recorded daily. 

Both temperature and pH were determined in the individual replicate vessels at the 

beginning of the test, in the uninoculated 5th control 

replicate at 72 hours, and in pooled replicates of each concentration at the 

end of the test. The temperature of water in a representative flask incubated among 

the test vessels was recorded continuously. Continuous light was maintained with 

cool-white fluorescent lights. 

The EC50 values were calculated based on the cells/mL at test termination, the EbC50 

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values were based on the biomass (area under the cruve), and the ErC50 values were 

based on the growth rate. The statistical method for calculating EC50 values (and 

confidence intervals) was based on a published nonlinear regression estimation 

procedure. The NOEC for algal growth was determined using Dunnett's test, which 

includes a parametric one-way ANOVA at the 95% confidence level. Calculations were 

performed using the TOXSTAT computer program. 

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 % = 10.4 mg/L Biomass 

96 Hours EC 50 % = 18 mg/L Growth 

Rate 

 

 

Results Remarks: Analytical verification of the nominal concentrations gave the following 

mean of 0 and 120-h concentrations: 0, 6.87, 12.7, 24.9, 49.8, and 98.9 mg 

test substance/L, which reflects a range of 98 to 106% of the nominal 

concentrations. Control samples were below the limit of quantification(5.00 mg test 

substance/L). 

The light intensity ranged from 730 to 750 footcandles (calculated as 7860 

to 8070 lumens/m2). The incubator temperature ranged from 24.0 to 24.2 deg C. The pH 

of the test solutions at the beginning of the test decreased with increasing test 

substance concentration (range= 7.4 to 3.6). 

Test results were calculated based upon mean measured concentrations. 

At 72 hours, the test endpoints (with 95% confidence interval) were (mg test 

substance/L): 

EC50 11.1 (7.28-16.9) 

EbC50 11.4 (7.27-17.7) 

ErC50 21.0 (12.0-36.8) 

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At 96 hours, the test endpoints (with 95% confidence interval) were (mg 

test substance/L): 

EC50 10.8 (10.4-31.0) 

EbC50 10.4 (<6.87-15.8) 

ErC50 18.0 (10.4-31.0) 

At 120 hours, the test endpoints (with 95% confidence interval) were (mg 

test substance/L): 

EC50 15.1 (<6.87->98.9) 

EbC50 12.4 (<6.87-34.2) 

ErC50 18.9 (10.8-33.2) 

NOEC 6.87 (when calculated using average specific growth rate and the number of 

cells/mL) 

NOEC <6.87 (when calculated using the area under the growth curve) 

After 120 hours of exposure, the mean number of cells/mL in the control 

vessels was 3,205,000. Cell growth at 6.87 mg test substance/L was 98% of control 

growth, cell growth at 12.7 mg test substance/L was 87% of the 

control, and cell growth at 24.9, 49.8, and 98.9 mg test substance/L was 

<1% of the control. The 120 hour NOEC for algal growth obtained was 6.87 mg test 

substance/L when calculated using the average specific growth rate and the number of

cells/mL and <6.87 mg test substance/L when calculated using the area under the 

growth curve. 

Conclusions: 

The area under the growth curve (total biomass) was the most sensitive 

endpoint calculated in this experiment (96 hour EbC50 = 10.4 mg/L, 120 hour EbC50 = 

12.4 mg/L). 

Test Validity: 

After 120 hours of exposure, the mean number of cells/mL in the controls 

was 3,205,000 cells/mL, which is more than a factor of 16 greater than the 

concentration at time 0. 

Reliability/Data Quality - Acute Toxicity To Aquatic Plants

Reliability: 1 - Valid Without Restrictions 

Reliability 

Remarks: 

The test adheres to guideline requirements with no serious deviations and meets all 

validity requirements. 

Key Study Sponsor 

Indicator: 

Key 

Reference - Acute Toxicity To Aquatic Plants

Reference: Olivieri, C.E, Boeri, R.L., Ward, T.R. 2000a. Effect of CL 271,197 on the Growth of 

Selenastrum capricornutum. American Cyanamid Company. Report Number ETX-99-133. 

Performing Laboratory: T.R. Wilbury Laboratories, Inc. 40 Doaks Lane, Marblehead, 

MA, 01945, Study No. 1724-AC. 

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 Acute Toxicity to Aquatic Plants 

CAS Number : 89-00-9

Sponsored 

Chemical Name : 

2,3-Pyridinedicarboxylic acid

Test Substance - Acute Toxicity To Aquatic Plants

Test Substance: (102268-15-5) 2,3-Pyridinedicarboxylic acid, 5-ethylTest Substance 

Purity/Composition 

and Other Test 

Substance 

Comments: 

The test substance, CL 271,191 (C9H9NO4), had a purity of 99.1%. 

Sponsored 

Chemical Result 

Type: 

See Test Plan and Category Analysis 

Test Substance 

Result Type: 

Measured 

Method - Acute Toxicity To Aquatic Plants

Year Study 

Performed: 

2000 

Method/Guideline 

Followed: 

Other 

Other 

Method/Guideline: 

EPA OPP 123-2 

Deviations from 

Method/Guideline: 

Species: Other 

Other Species: Lemna gibba (duckweed) 

GLP: Yes 

Analytical 

Monitoring: 

Yes 

Test Type: 

Test Vessel: 

Water Media Type: 

Test 

Concentrations: 

Nominal and 

Measured 

Concentrations: 

nominal concentrations: 0 (control), 3.0, 6.3, 13, 25, 50, and 100 mg test 

substance/L. 

Analytical verification of the nominal concentrations gave the following 

measured concentrations: <2.0 (LOQ/control), 2.72, 7.01, 13.0, 23.8, 49.8, 

and 101 mg test substance/L. Not all measured test concentrations were 70% of 

nominal at the end of the experiment, therefore, the initially measured 

concentrations were used for all calculations. 

Exposure Period: 14 Days 

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Vehicle Used: 

Vehicle Name: 

Vehicle Amount 

and Units: 

Alkalinity: 

Dissolved Oxygen: 

pH Value: Value/Lower Range: = 3.5 Upper Range: 5.1 

Test Temperature 

and Units: 

Value/Lower Range: 24 Upper Range: 24.3 °C 

Photo 

(Light/Dark): 

24/0 

Salinity: 

TOC: 

Water Hardness: 

Method/Guideline 

Test Conditions 

Remarks: 

The study was conducted according to USEPA 40 CFR, Subdivision J, Series 123-2 and 

EU Council Directive 91/414/EEC, Annex II, 8.2.8 as amended by EU Commission 

Directive 96/12/EC. 

Medium used for the acclimation of Lemna gibba G3 and for all toxicity 

testing was sterile M-Hoagland's media without sucrose or EDTA adjusted 

to pH 5.0 +/- 0.1 with 0.1N NaOH. 

All duckweed used in the test was originally supplied from the Climate Stress 

Laboratory, USDA, Beltsville, MD. The duckweed was maintained at test conditions 

prior to the beginning of the test. A portion of the culture was transferred to 

fresh media every 7 days. The inoculum used in this study was actively growing and 

11 days old at the start of the test. 

Stock solutions were prepared in medium to yield the following nominal 

concentrations: 0 (control), 3.0, 6.3, 13, 25, 50, and 100 mg test substance/L. 

Duckweed was distributed among 4 replicates of each treatment at a rate of 3 plants, 

each with 4 fronds per plant (12 fronds per vessel). The test vessels were 500 mL 

Erlenmeyer flasks that each contained 200 mL of test solution. The test organisms 

were randomly assigned to vessels at the beginning of the test. 

Analytical verification of exposure concentrations was performed by the 

Sponsor using analytical method titled: Validation and analytical procedure 

for the determination of CL 271,197 in Lemna gibba G3 Algal media. 

Temperature of the incubator was measured with a thermometer and recorded daily. 

Both temperature and pH were determined in the individual replicate vessels at the 

beginning of the test, in the uninoculated 5th control replicate at 72 hours, and in 

pooled replicates of each concentration at the 

end of the test. The temperature of water in a representative flask incubated among 

the test vessels was recorded continuously. 

Observations on growth were performed on Day 1, 3, 6, 8, 10, 13, and 14 of exposure. 

The number of parental fronds and fronds that visibly extended beyond the edge of 

the parental frond was noted in addition to the number of chlorotic fronds, the 

presence of flowers, and any abnormalities. At the conclusion of the 14 day test, 

the plants from each replicate were dried for 4 days at 65-70 deg C, placed in a 

dessicator at room temperature for 1 day, and then weighed. Both temperature and pH 

of the incubator was measured and recorded daily, temperature and pH of the controls 

and test vessels was recorded at the beginning of the test and in pooled replicates 

of each concentration at the end of the test. A representative flask of water, 

incubated with the test vessels, was continuously monitored throughout the 14 days 

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for temperature. Continuous light was maintained with cool-white fluorescent 

lights. 

Statistical analyses were performed using the number of normal (nonchlorotic) 

fronds and frond biomass (dry weight) in relation to the initial 

measured concentrations of test substance. The 14 day EC50 and EC25 were calculated 

using weighted least squares non-linear regression when 

warranted. Because the total amount of growth for all test concentrations 

was >50% of control growth, the 14-day EC50 could not be calculated using the number 

of fronds. 

The NOECs for duckweed growth (frond number) and biomass (dry weight of fronds) were 

determined on day-14. A Chi-square test confirmed that the data were normally 

distributed and Bartlett's test that the variances were homogenous. ANVOA and 

Dunnett's test were used to compare the treatment and control data based on 

inhibition. 

Limit Test: No 

Test Results - Acute Toxicity To Aquatic Plants

NOEC Exposure 

Duration: 

 14 Days 

NOEC: = 49.8 mg/L Initial Measured 

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 

14 Days EC 50 % > 101 mg/L Biomass 

14 Days EC 50 % > 101 mg/L Other 

 

Results Remarks: Analytical verification of the nominal concentrations gave the following 

measured concentrations: <2.0 (LOQ/control), 2.72, 7.01, 13.0, 23.8, 49.8, and 101 

mg test substance/L. Not all measured test concentrations were 70% of nominal at the 

end of the experiment, therefore, the initially measured concentrations were used 

for all calculations. These low recoveries suggest that the test substance was 

degraded throughout the 14 day exposure. 

A 24 hour light and 0 hour dark photoperiod with cool-white fluorescent lights was 

maintained throughout the experiment. The range of temperature in the incubator 

throughout the course of the study was 24.0 to 24.3 deg C. The pH of the test medium 

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ranged from 3.5 at the beginning of the test to 5.1 at the end. 

The mean number of fronds in the controls on day-14 was 281. Inhibition was only 

seen at the 101 mg test substance/L dose level (43%). All other doses were 

stimulatory of frond growth. 

Calculated Using Plant Biomass (mg test substance/L): 

EC25 86.9 

EC50 >101 

Calculated Using the Number of Fronds (mg test substance/L): 

EC25 99.8 

EC50 >101 

14-day NOEC = 49.8 mg test substance/L (based on both the number of 

normal fronds and plant biomass). 

Reliability/Data Quality - Acute Toxicity To Aquatic Plants

Reliability: 1 - Valid Without Restrictions 

Reliability 

Remarks: 

The study adheres to USEPA 40 CFR, Subdivision J, Series 123-2 and EU Council 

Directive 91/414/EEC, Annex II, 8.2.8 as amended by EU Commission Directive 96/12/EC 

without any major deviations. 

Key Study Sponsor 

Indicator: 

Reference - Acute Toxicity To Aquatic Plants

Reference: Olivieri, C.E, Boeri, R.L., Ward, T.R. 2000b. Effect of CL 271,197 on the Growth of 

Lemna gibba G3. American Cyanamid Company. Report Number ETX-99-131. Performing 

Laboratory: T.R. Wilbury Laboratories, Inc. 40 Doaks Lane, Marblehead, MA, 01945, 

Study No. 1725-AC. 

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 Acute Toxicity to Aquatic Plants 

CAS Number : 89-00-9

Sponsored 

Chemical Name : 

2,3-Pyridinedicarboxylic acid

Test Substance - Acute Toxicity To Aquatic Plants

Test Substance: (89-00-9) 2,3-Pyridinedicarboxylic acid 

Test Substance 

Purity/Composition 

and Other Test 

Substance 

Comments: 

The test substance, 2,3-pyridinedicarboxylic acid, Reg. No. 4036318, batch AC12649-

108, had a purity of 99.0%. 

Sponsored 

Chemical Result 

Type: 

Measured 

Test Substance 

Result Type: 

Measured 

Method - Acute Toxicity To Aquatic Plants

Year Study 

Performed: 

2009 

Method/Guideline 

Followed: 

OECD 201 

Other 

Method/Guideline: 

Deviations from

Method/Guideline: 

No 

Species: Pseudokirchnerella subcapitata 

GLP: Yes 

Analytical 

Monitoring: 

Yes 

Test Type: Static 

Test Vessel: Open 

Water Media Type: Freshwater 

Test 

Concentrations: 

Measured 

Nominal and 

Measured 

Concentrations: 

Nominal test concentrations of: 0 (control), 10, 18, 32, 56, and 100 mg/L. 

0-hr measured concentrations: n.d., 9.93, 17.88, 31.57, 55.67 and 101.8 mg/L. 

72-hr measured concentrations: n.d., 10.09, 18.34, 32.13, 57.85 and 105.8 mg/L. 

Exposure Period: 72 Hours 

Vehicle Used: No 

Vehicle Name: 

Vehicle Amount 

and Units: 

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Alkalinity: 

Dissolved Oxygen: 

pH Value: Value/Lower Range: = 7.42 Upper Range: 7.59 

Test Temperature 

and Units: 

Value/Lower Range: 22 °C 

Photo 

(Light/Dark): 

continuous light 

Salinity: 

TOC: 

Water Hardness: 

Method/Guideline 

Test Conditions 

Remarks: 

The study was performed according to OECD Guideline 201, The exposure period was 72 

hours. EC10 and EC50 values were calculated based upon both growtn rate and yield. 

Test medium was prepared per OECD Guideline 201 and the pH adjusted to 8.1. Medium 

was filter-sterilized (0.2 microns). 

Algae used in the test were obtained from stock cultures cultivated in the testing 

facility. The original culture was obtained from the "Sammlung von Algenkulturen" 

Gottingen (Germany), specification SAG 61.81 Pseudokirchneriella subcapitata. 

The results of a pre-test were used to establish the test concentrations for the 

definitive test. Five replicates were prepared for each test substance concentration 

(10 replicates for the control). A stock solution was prepared by adding 100 mg of 

test substance to 1000 mL nutrient medium and adjusting the pH to 8.1. The stock 

solution was clear and colorless. Aliquots of the stock solution were then diluted 

with medium to prepare the test concentrations, of which 60 mL were added to each 

replicate flask (100 mL Erlenmeyer flasks). Flasks were inoculated with algae from a 

4-day old preculture to obtain an initial cell concentration of about 10,000 

cells/mL. 

Test vessels were shaken constantly at about 135 rpm. The temperature was maintained 

at 22 +/- 1 degrees C and continuous uniform illumination was provided by universal 

white-type fluorescent lamps yielding approximately 8000 lux. 

Samples were collected at the beginning and end of the test for verification of test 

concentrations. Analyses were conducted using HPLC with UV detection. 

Cell concentration in each flask was determined 24, 48 and 72 hours after test 

initiation using a spectrophotometer (623 nm, 5 cm glass cuvettes). The blank was 

algal medium without algae. To obtain the actual number of cells, a linear 

correlation was calculated from cell numbers (counted under a microscope) versus 

extinction values. 

The EC10 and EC50 were calculated based upon both yield and growth rate. (Yield is 

defined as the biomass at the end of the exposure period minus the biomass at the 

start). Calculations were performed using probit analysis, logit analysis, and loglog analysis, with the probit model providing the best fit selected. Commericial 

software (TOXSTAT 3.5) was used. 

Limit Test: 

Test Results - Acute Toxicity To Aquatic Plants

NOEC Exposure 

Duration: 

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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 

72 Hours EC 50 % > 100 mg/L Growth 

Rate 

Nominal 

72 Hours EC 10 % > 100 mg/L Growth 

Rate 

Nominal 

72 Hours EC 50 % > 100 mg/L Biomass Nominal 

72 Hours EC 10 % > 100 mg/L Biomass Nominal 

 

Results Remarks: For the nominal concentrations of 0, 10, 18, 32, 56 and 100 mg/L, the measured test 

concentrations were n.d., 9.93, 17.88, 31.57, 55.67 and 101.8 mg/L at test 

initiation and n.d., 10.09, 18.34, 32.13, 57.85 and 105.8 mg/L at test termination. 

This represents 98.6 - 101.8% of nominal (average 99.7%) at test initiation and 

100.9 - 105.8% of nominal (average of 102.5%) at test termination. No test substance 

was detected in the controls (limit of detection = 0.27 mg/L). Test results were 

calculated using the nominal values. 

Based upon growth rate after 72 h, the test substance resulted in 0.4% inhibition to 

0.5% stimulation. Based upon yield after 72 h, the test substance resulted in 1.7% 

inhibition to 2.2% stimulation. No morphological effects upon the algae were 

observed. All EC10 and EC50 values were > 100 mg/L.

The validity criteria in OECD 201 were met, as follows: 

Biomass increase was 75.1 (> criterion of 16). 

Mean coefficient of variation in the section-by-section growth rate in the control 

cultures was 5.8% (< criterion of 35%). 

Coefficient of variation of average specific growth rate during the entire test in 

the controls was 0.5% (< criterion of 7%). 

Reliability/Data Quality - Acute Toxicity To Aquatic Plants

Reliability: 1 - Valid Without Restrictions 

Reliability 

Remarks: 

Key Study Sponsor 

Indicator: 

Key 

Reference - Acute Toxicity To Aquatic Plants

Reference: Hoffmann, F. 2009. Effect of Reg. No. 4036318 (Metabolite and Intermediate of BAS 

693 H, Imazapyr) on the Growth of the Green Alga, Pseudokirchneriella subcapitata. 

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BASF DocID 2009/1011444, BASF SE, BASF Agricultural Center Limburgerhof, Crop 

Protection Division, Ecology and Environmental Analytics, P.O. Box 120, 67114 

Limburgerhof, Germany. 

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 Acute Toxicity 

CAS Number : 89-00-9

Sponsored 

Chemical Name : 

2,3-Pyridinedicarboxylic acid

Test Substance - Acute Toxicity

Test Substance: (89-00-9) 2,3-Pyridinedicarboxylic acid 

Test Substance 

Purity/Composition 

and Other Test 

Substance 

Comments: 

Quinolinic acid 

Sponsored 

Chemical Result 

Type: 

Method - Acute Toxicity

Route of 

Administration: 

Dermal 

Type of Exposure: 

Species: Rabbit 

Mammalian Strain: 

Gender: 

Number of Animals 

per Dose: 

Dose: 

Year Study 

Performed: 

Method/Guideline 

Followed: 

GLP: 

Method/Guideline 

and 

Test Condition 

Remarks: 

No information provided. 

Test Results - Acute Toxicity

Concentration 

(LC/LD) : LC/LD % Value 

Description 

Value/Lower 

Concentration 

Upper 

Concentration 

Units 

LD 50 % > 200 mg/kg

-bw 

 

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Number of Deaths 

( Male ): 

Number of Deaths 

( Female ): 

Number of Deaths 

( Total ): 

Results Remarks: 

Conclusion: 

Reliability/Data Quality - Acute Toxicity

Reliability: 4 - Not Assignable 

Reliability 

Remarks: 

Key Study Sponsor 

Indicator: 

Reference - Acute Toxicity

Reference: Material Safety Data Sheet. Quinolinic Acid MSDS. Prepared 

By: Sciencelab.com, Inc. 14025 Smith Rd, Houston, TX 

77369. 

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 Acute Toxicity 

CAS Number : 89-00-9

Sponsored 

Chemical Name : 

2,3-Pyridinedicarboxylic acid

Test Substance - Acute Toxicity

Test Substance: (89-00-9) 2,3-Pyridinedicarboxylic acid 

Test Substance 

Purity/Composition 

and Other Test 

Substance 

Comments: 

Quinolinic acid 

Sponsored 

Chemical Result 

Type: 

Method - Acute Toxicity

Route of 

Administration: 

Oral 

Type of Exposure: 

Species: Rat 

Mammalian Strain: 

Gender: 

Number of Animals 

per Dose: 

Dose: 

Year Study 

Performed: 

Method/Guideline 

Followed: 

GLP: 

Method/Guideline 

and 

Test Condition 

Remarks: 

No information provided. 

Test Results - Acute Toxicity

Concentration 

(LC/LD) : LC/LD % Value 

Description 

Value/Lower 

Concentration 

Upper 

Concentration 

Units 

LD 50 % > 500 mg/kg

-bw 

 

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Number of Deaths 

( Male ): 

Number of Deaths 

( Female ): 

Number of Deaths 

( Total ): 

Results Remarks: 

Conclusion: 

Reliability/Data Quality - Acute Toxicity

Reliability: 4 - Not Assignable 

Reliability 

Remarks: 

Key Study Sponsor 

Indicator: 

Reference - Acute Toxicity

Reference: Material Safety Data Sheet. Quinolinic Acid MSDS. Prepared 

By: Sciencelab.com, Inc. 14025 Smith Rd, Houston, TX 

77369. 

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 Acute Toxicity 

CAS Number : 89-00-9

Sponsored 

Chemical Name : 

2,3-Pyridinedicarboxylic acid

Test Substance - Acute Toxicity

Test Substance: (102268-15-5) 2,3-Pyridinedicarboxylic acid, 5-ethylTest Substance 

Purity/Composition 

and Other Test 

Substance 

Comments: 

The test substance, CL 271,197, toxicology sample no. 85-

204, sample ID AC 5007-64B, was stated as 89.7% pure. 

Sponsored 

Chemical Result 

Type: 

See Test Plan and Category Analysis 

Method - Acute Toxicity

Route of 

Administration: 

Dermal 

Type of Exposure: Occlusive 

Species: Rabbit 

Mammalian Strain: New Zealand White 

Gender: Both M/F 

Number of Animals 

per Dose: 

10 

Dose: 2000 mg/kg 

Year Study 

Performed: 

1985 

Method/Guideline 

Followed: 

GLP: No Data 

Method/Guideline 

and 

Test Condition 

Remarks: 

This study was conducted with methodology similar to OECD 

402. This is a dermal acute toxicity limit test. 5 Male and 

5 female albino 

rabbits, strain New Zealand White (Skippac Farms), aged 12-

14 weeks, weighing between 2.41-3.07 kg were used. A single 

dermal dose was applied to intact skin in order to 

calculate an acute dermal toxicity LD50 value. 

The animals were housed individually in standard stainless 

steel laboratory 

cages. They were fed Purina Rabbit Chow (nonmedicated). The 

animals were assigned to groups based on their body weights 

as to equalize mean initial weights among the test group. 

The animals were ear-tagged for identification. Their body 

weights were recorded on day 0 of the experiment and weekly 

thereafter. 

Nonfasted animals were shaved 24 hours prior to dosing. The 

test material was delivered to the skin in an aqueous paste 

by gentle inunction of the ventral surface of the animal to 

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provide a dosage of 2000 mg/kg. The application area was 

approximately 10% of the body surface area. The test 

material was held on the skin for 24 hours under an

impervious plastic cuff. At 24 hours, the cuff was removed 

and the application site was wiped with a gauze pad. The 

animals were fitted with collars to prevent ingestion of 

any of the test material. The animals were observed for a 

period of 14 days, daily, for toxic signs. The animals were

sacrificed and subjected to gross necropsy after the 14 day

period. 

TEST CONDITIONS 

Temperature: 68-72 deg F 

Humidity: 40-60% 

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 ): 

0 

Results Remarks: No mortalities. No signs of intoxication were observed. 

Upon gross necropsy, hemorrhagic areas of the lung were 

found in 8/10 animals. No visible lesions were noted in 

2/10 animals. 

Since there were no mortalities, the LD50 for both males 

and females is > 2000 mg/kg bw. 

Conclusion: The LD50 for both males and females is > 2000 mg/kg bw. 

Reliability/Data Quality - Acute Toxicity

Reliability: 1 - Valid Without Restrictions 

Reliability 

Remarks: 

Similar to OECD Guideline 402: Acute Dermal Toxicity. Only 

minor deviations: no data on acclimatisation period,

light:dark photoperiod. This is a limit study so only one 

dose was given. 

Key Study Sponsor 

Indicator: 

Key 

Reference - Acute Toxicity

Reference: Fischer, J.E. 1985. Toxicity Report Data. Animal Industry 

R/D. Agricultural Research Division. American Cyanamid Co. 

P.O. Box 400, Princeton, NJ 08540. Report# A85-79. 

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 Acute Toxicity 

CAS Number : 89-00-9

Sponsored 

Chemical Name : 

2,3-Pyridinedicarboxylic acid

Test Substance - Acute Toxicity

Test Substance: (102268-15-5) 2,3-Pyridinedicarboxylic acid, 5-ethylTest Substance 

Purity/Composition 

and Other Test 

Substance 

Comments: 

The test substance, CL 271,197, Lot number AC 8884-54B, had 

a purity of 99.1%. 

Sponsored 

Chemical Result 

Type: 

See Test Plan and Category Analysis 

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: 

10 

Dose: 5000 mg/kg 

Year Study 

Performed: 

1999 

Method/Guideline 

Followed: 

EPA OPP 81-1 

GLP: Yes 

Method/Guideline 

and 

Test Condition 

Remarks: 

The experiment followed EPA pesticide assessment guideline 

No.81-1. 

This is a limit test. Only one dose of 5,000 mg/kg bw was 

administered. The test animals were both male (5) and 

female (5). The males were aged 8 weeks and weighed 212-229 

g and the females were 11 weeks and 208-234 g respectively. 

The animals were housed individually in stainless steel 

cages with wire mesh bottoms. They were fed PMI Certified 

Rodent Diet 

#5002 ad libitum. They were allowed access to filtered tap 

water ad libitum. 

The animals were randomly assigned to dose groups. The 

animals were fasted overnight prior to the administration 

of the test substance. The animals received the test 

substance in a single oral dose via intubation, using a 

ball-tipped needle and syringe. The individual doses were 

calculated using the fasted body weights. Two hours after 

the adminstration of the test substance feeding was

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resumed. 

TEST CONDITIONS 

Temperature: 66-77 deg F (22 +/- 3 deg C) 

Humidity: 50% +/- 20% 

Light/Dark Cycle: 12 hour light/dark cycle controlled by an 

automatic timer 

Air Changes: At least 10/hour 

OBSERVATIONS 

The animals were observed for clinical signs and mortality 

after administration of the test substance and every day 

thereafter for the 14 day 

observation period. Body weights were recorded on Day 0 

(prior to dosing), Day 7, and on Day 14. Gross necopsies 

were performed on all decedents and on all surviving 

animals at the end of the study. The necropsy included: 

examination of the external surface and all orifices, the 

organs and tissues of the thoraicic, abdominal and pelvic 

cavities, and the remainder of the carcass. 

No statistical analysis was performed during the course of 

the studies. 

Test Results - Acute Toxicity

Concentration 

(LC/LD) : LC/LD % Value 

Description 

Value/Lower 

Concentration 

Upper 

Concentration 

Units 

LD 50 % > 5000 mg/kg

-bw 

 

Number of Deaths 

( Male ): 

Number of Deaths 

( Female ): 

2 

Number of Deaths 

( Total ): 

2 

Results Remarks: MORTALITY 

Two females died at Day 2 post-dosing. 

CLINICAL SIGNS 

Salivation was noticed immediately after dosing in 2 males 

and 2 females; 

however, they returned to normal by hour 2 of the study. 

Decreased activity and diarrhea were observed in one male 

on days 1-2. Decreased activity was observed in one female 

on day 1 and diarrhea was observed on day 2 in three 

females. Surviving females recovered by day 3. 

BODY WEIGHT 

All surviving animals gained weight during the course of 

the study. 

GROSS NECROPSY 

No treatment-related pathological findings in decedents or 

in animals 

sacrificed at the termination of the study. 

Conclusion: Males: LD50 > 5,000 mg/kg bw (highest dose tested).

Females: LD50 > 5,000 mg/kg bw (highest dose tested). 

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Reliability/Data Quality - Acute Toxicity

Reliability: 1 - Valid Without Restrictions 

Reliability 

Remarks: 

Key Study Sponsor 

Indicator: 

Weight of Evidence 

Reference - Acute Toxicity

Reference: Lowe, C.A. 1999. Oral LD50 Study in Albino Rats with CL 

271197. Toxicology Study Report Number A98-100. American 

Cyanamid Company. Agricultural Products Research Division. 

Toxicology Department. P.O. Box 400. Princeton, NJ 08543-

0400. 

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 Acute Toxicity 

CAS Number : 89-00-9

Sponsored 

Chemical Name : 

2,3-Pyridinedicarboxylic acid

Test Substance - Acute Toxicity

Test Substance: (102268-15-5) 2,3-Pyridinedicarboxylic acid, 5-ethylTest Substance 

Purity/Composition 

and Other Test 

Substance 

Comments: 

The test substance, CL 271,197, toxicology sample no. 85-

204, sample ID AC 5007-64B, was stated as 89.7% pure. 

Sponsored 

Chemical Result 

Type: 

See Test Plan and Category Analysis 

Method - Acute Toxicity

Route of 

Administration: 

Oral 

Type of Exposure: Gavage 

Species: Rat 

Mammalian Strain: Other 

Other Strain: 

Gender: Both M/F 

Number of Animals 

per Dose: 

Dose: The following nominal dosages were given (number of animals 

in the group in parentheses): 1250 mg/kg bw (5), 2500 mg/kg 

bw (10), 5000 mg/kg bw (10), and 7500 mg/kg bw (5).

Year Study 

Performed: 

1985 

Method/Guideline 

Followed: 

GLP: No Data 

Method/Guideline 

and 

Test Condition 

Remarks: 

The albino rats were aged 6-7 weeks and were in the weight 

range of 159-210 g and 149-181 g for males and females 

respectively. Body weights were recorded initially and 

weekly thereafter. The animals were housed in suspended 

wire cages with water provided ad libitum. The animals were 

assigned to dosage groups based on body weights so as to 

equalize mean initial weights among the groups. The animals 

were fed Purina Rodent Chow #5001. 

TEST CONDITIONS 

Temperature: 70-74 deg F 

Humidity: 40-60% 

A total of 30 animals were fasted 18 hours prior to

administration of the test 

substance. The test substance was delivered in the vehicle 

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corn oil by gavage at 25-30% W/V final concentration in 

amounts that ranged from 3.13 to 25 mL of dispersion/kg bw. 

The following nominal dosages were given (number of animals 

in the group in parentheses): 1250 mg/kg bw (5), 2500 mg/kg 

bw (10), 5000 mg/kg bw (10), and 7500 mg/kg bw (5). All 

animals were observed daily during the 14 day observation 

period for mortality, toxic symptoms, and recovery. Any 

dead or moribund animals were sacrificed and underwent 

necropsy. At the end of the 14 day observation period all 

surviving animals were sacrificed and underwent necropsy. 

Test Results - Acute Toxicity

Concentration 

(LC/LD) : LC/LD % Value 

Description 

Value/Lower 

Concentration 

Upper 

Concentration 

Units 

LD 50 % = 4251 mg/kg

-bw 

 

Number of Deaths 

( Male ): 

Number of Deaths 

( Female ): 

Number of Deaths 

( Total ): 

Results Remarks: The experimental LD50 values obtained were: 

Male: 5120 mg/kg [No 95% CI calculable] 

Female: 3353 mg/kg [1906-8842] 

Combined: 4251 mg/kg [3167-5646] 

MORTALITY, CLINICAL SIGNS, GROSS PATHOLOGY 

1250 mg/kg dose: No mortalities. 3/5 rats had hemorrhagic 

areas of the 

lung, 2/5 had no visible lesions. 

2500 mg/kg dose: One mortality. 5/9 survivors had 

hemorrhagic areas of 

the lung. The decedent was dosed in the lung. 4/9 survivors 

had no visible lesions of the lungs. 

5000 mg/kg dose: Five mortalities, of which a had 

congestion of the liver, kidneys, and the lung (4/5 had 

congestion of the lung, one of the decedents 

was cannibalized and autolyized therefore no necropsy was 

performed). 4/4 survivors presented no visible lesions. 

7500 mg/kg dose: All five animals in this dose group died 

during the 

observation period. 3/5 had a congested liver and kindey, 

4/5 had hemorrhage of the stomach, and 1/5 presented 

hemorrhage of the lung. 

Conclusion: The experimental LD50 values obtained were: 

Male: 5120 mg/kg [No 95% CI calculable] 

Female: 3353 mg/kg [1906-8842] 

Combined: 4251 mg/kg [3167-5646] 

Reliability/Data Quality - Acute Toxicity

Reliability: 1 - Valid Without Restrictions 

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Reliability 

Remarks: 

Similar to EPA OPPTS 870.1100 Acute Oral Toxicity 

Guideline. No data on acclimation period, rats were younger 

than the recommended 8-12 weeks of age. 

Key Study Sponsor 

Indicator: 

Key 

Reference - Acute Toxicity

Reference: Fischer, J.E. 1985. Toxicity Report Data. Animal Industry 

R/D. Agricultural Research Division. American Cyanamid Co. 

P.O. Box 400, Princeton, NJ 08540. Report# A85-79. 

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 Repeated-Dose Toxicity 

CAS Number : 89-00-9

Sponsored 

Chemical Name : 

2,3-Pyridinedicarboxylic acid

Test Substance - Repeated-Dose Toxicity

Test Substance: (89-00-9) 2,3-Pyridinedicarboxylic acid 

Test Substance 

Purity/Composition 

and Other Test 

Substance 

Comments: 

2,3-Pyridine Dicarboxylic Acid (PDC), Batch number 080319, 99.7% 

purity 

Sponsored 

Chemical Result 

Type: 

Measured 

Method - Repeated-Dose Toxicity

Route of 

Administration: 

Oral 

Type of Exposure: Gavage 

Species: Rat 

Mammalian Strain: Wistar 

Gender: Both M/F 

Number of Animals 

per Dose: 

20 

Dose: Test substance: 50 mg/kg bw/d, 250 mg/kg bw/d or 1000 mg/kg bw/d 

Vehicle control: 1% Carboxymethylcellulose 

Year Study 

Performed: 

2010 

Method/Guideline 

Followed: 

OECD 422 

GLP: Yes 

Exposure Period: 31 - 56 Days 

Frequency of 

Treatment: 

Daily 

Post-Exposure 

Period: 

1 Days 

Method/Guideline 

and 

Test Condition 

Remarks: 

The study was carried out in accordance with or exceeding the 

requirements of the following test guidelines: 

(1) OECD Guidelines for Testing of Chemicals; No. 422, Combined 

Repeated Dose Toxicity Study with the Reproduction/Developmental 

Toxicity Screening Test (22 Mar 1996); 

(2) EPA, Health Effects Test Guidelines; OPPTS 870.3650: Combined 

Repeated Dose Toxicity Study With the Reproduction/Developmental 

Toxicity Screening Test (Jul 2000) 

2,3-Pyridine Dicarboxylic Acid (PDC) was administered orally by 

gavage to groups of 10 male and 10 female Wistar rats (F0 

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animals). The duration of treatment covered a 2-week pre-mating 

and mating period in both sexes, approximately 1 week post-mating 

in males, the entire gestation period as well as 4 days of 

lactation in females followed by an additional treatment until one 

day before sacrifice. 

F0 animals were mated 13 days after the beginning of treatment to 

produce litter (F1 generation pups). Mating pairs were from the 

same test group. Mating was discontinued as soon as sperm was 

detected in the vaginal smear. In the reproductive portion of this 

study, F0 animals were examined for their reproductive performance 

including determination of the number of implantation sites and 

the calculation of postimplantation loss for all F0 females. 

Male and female rats were 9-13 weeks of age at the start of the 

administration period. The rats were housed individually in 

Makrolon type M III cages supplied by Becker & Co., CastropRauxel, Germany (floor area of about 800 cm2), with the following 

exceptions: (a) During overnight matings, male and female mating 

partners were housed together in Makrolon type M III cages; (b) 

Pregnant animals and their litters were housed together until PND 

4 (end of lactation); (c) For motor activity (MA) measurements the 

animals were housed individually in polycarbonate cages with wire 

covers from Ehret, Emmendingen, Germany (floor area of about 800 

cm2) and small amounts of bedding material. The animals were 

housed in fully air-conditioned rooms with a temperature range of 

20-24 degrees C and a relative humidity range of 30-70%. The air 

change rate was 10 times per hour. The day/night cycle was 12 

hours (12 hours light from 06:00 h to 18:00 h; 12 hours dark from 

18:00 h to 06:00 h). Food (ground Kliba maintenance diet mouse/rat 

"GLP" meal, supplied by Provimi Kliba SA, Kaiseraugst, 

Switzerland) and drinking water in bottles was available ad 

libitum. 

The aqueous test substance suspensions were prepared at the 

beginning of the administration period and thereafter at intervals 

that took into account the analytical results of the stability 

verification. For the test substance preparation, the specified 

amount of the test substance was weighed into a calibrated beaker, 

topped up with drinking water containing 1% Carboxymethylcellulose 

and was intensely mixed with a homogenizer. A magnetic stirrer was 

used to keep the preparations homogeneous during treatment of the 

animals. Samples of the test substance preparations were collected 

at the beginning and towards the end of the administration period 

for verification of the concentrations. 

Cageside examinations were conducted at least daily for any 

abnormalities. Generally, food consumption and body weight were 

measured once a week. Detailed clinical observations were 

performed prior to administration and weekly thereafter. 

Parameters examined included behavior, fur, skin, posture, 

salivation, nassl discharge, respiration, activity/arousal level, 

tremors, convulsions, abnormal movements, impairment of gait, 

lacrimation, palpebral closure, exopthalmos, pupil size, 

appearance/consistency of feces, urine, and other findings. 

A detailed clinical observation (DCO) was performed in all F0 

animals before test substance administration and thereafter at 

weekly intervals. Food consumption of the F0 parents was 

determined regularly during premating and after the mating period 

and during the gestation and lactation periods in dams. In 

general, body weights of F0 animals were determined once a week. 

Clinicochemical and hematological examinations and urinalyses were 

performed in 5 F0 parental animals of either sex and group towards 

the end of the administration period. At the end of the 

administration period a functional observational battery was 

performed and motor activity was measured in 5 F0 parental males 

and females per test group. All surviving F0 parental animals 

were sacrificed and assessed by gross pathology. Organ weights 

were recorded and a histopathological examination was performed. 

At the end of the study (males: study day 31, females: study days 

53 and 56), the animals were sacrificed after a fasting period 

(withdrawal of food) for at least 16-20 hours. The following 

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organs were weighed: liver, kidneys, adrenal glands, testes, 

epididymides, prostate, seminal vesicles including coagulation 

glands, ovaries, uterus, thymus, spleen, brain, heart, and thyroid 

glands (with parathyroids). For at least the vehicle control and 

high dose groups, histopathological examinations were made on 

these organs plus the following: trachea, lungs, spinal cord, 

sciatic nerve, lymph nodes, stomach, intestines, bladder, and bone 

marrow. All gross lesions were examined. 

Statistical tests used included DUNNETT-test (two-sided) for 

simultaneous comparison of all test groups with the control group; 

FISHER'S EXACT Test and WILCOXON-test (one-sided) for the pairwise 

comparison of each test group with the control group and KRUSKALWALLIS test (two-sided) for Non-parametric one-way analysis. 

Test Results - Repeated-Dose Toxicity

Concentration 

(LOAEL/ LOAEC/ 

NOAEL/ NOAEC) :

LOAEL/ 

LOAEC/ 

NOAEL/ 

NOAEC 

Population Value 

Description 

Value/Lower 

Concentration 

Upper 

Concentration 

Units 

NOAEL Male 

(Paternal) 

= 50 mg/kg 

bw 

NOAEL Female 

(Maternal) 

= 250 mg/kg 

bw 

 

Results Remarks: Signs of general systemic toxicity were only observed in male 

parental animals at a dose level of 1000 mg/kg bw/d during the 

premating period as there were significantly lower body weights 

accompanied with reduced food consumption but not with reduced 

general condition. Male animals of test groups 1 (50 mg/kg bw/d) 

and 2 (250 mg/kg bw/d) did not show any findings. No test 

substance-related findings were observed for female animals up to 

a dose level of 1000 mg/kg bw/d during the entire study period. 

One female animal in test group 3 (1000 mg/kg bw/d) was found dead 

within the second week of the study. This finding was considered 

to be incidental and not treatment related as no pathological 

finding could explain the premature death. In addition, all other 

animals of test group 3 (1000 mg/kg bw/d) did not show severe 

clinical findings. 

Regarding pathology, test substance-related findings occurred in 

animals of test groups 2 and 3 (250 and 1000 mg/kg bw/d). The body 

weight of males in test group 3 (1000 mg/kg bw/d) was 

significantly decreased when compared to controls. This reduction 

in body weight was possibly related to the cecum findings, where 

males revealed desquamation of the cecal epithelial cells. The 

cecum of males and females of test group 3 (1000 mg/kg bw/d) 

revealed increased numbers of apoptosis. This cell loss 

(desquamation) and programmed cell death (apoptosis) was regarded 

to be induced by the test substance and adverse in nature. Female 

animals exclusively showed apoptosis and no shedding/desquamation 

of the epithelial cells. In the thymus of some test substancetreated animals an increase of starry sky cells (uptake of 

apoptotic cells/debris by macrophages) was observed. As there was 

no clear dose response relationship (males: 0/2/0/3, females: 

0/3/1/2), a treatment-related effect is regarded to be very 

unlikely. The animal that was found dead revealed the most severe 

increase in starry sky cells in the thymus. The appearance of the 

starry sky cells is known to occur during involution of the 

thymus, starving or stress. In this animal the increase in starry 

sky cells is regarded to be due to the stress during agony. 

In the test group 1 (50 mg/kg bw/d), no test-substance related, 

relevant findings were observed in F0 parental animals in clinical 

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examination, clinical pathology or pathology. 

In the test group 2 (250 mg/kg bw/d), no test-substance related, 

relevant findings were observed in F0 parental animals in clinical 

examinations and clinical pathology. Minimal desquamation of 

cecal epithelium in 4 males were observed in F0 parental animals 

upon pathological examination. 

In the test group 3 (1000 mg/kg bw/d), decreased food consumption 

in F0 parental males during the first study week, body weight loss 

in F0 parental males through study week 0-1 and significantly 

lower mean body weight during study weeks 1-3 were observed upon 

clinical examinations of F0 parental animals. No test-substance 

related, relevant findings were observed in F0 parental animals 

upon clinical pathology examinations. However, reduced terminal 

body weight of male animals, minimal to mild desquamation of cecal 

epithelium in 7 males, minimal to moderate increase in apoptotic 

cell numbers of the cecal epithelium in 5 males and 7 females, and 

minimal to moderate increase in starry sky cells in the thymus of 

3 males and 2 females were observed upon pathological examinations 

in F0 parental animals. 

Conclusion: The NOAEL for general, systemic toxicity of the test substance was 

50 mg/kg bw/d for the male F0 parental animals based on impaired 

body weight data as well as pathological findings in the 

gastrointestinal tract and 250 mg/kg bw/d for the female F0 

parental animals based on pathological findings in the 

gastrointestinal tract. 

Reliability/Data Quality - Repeated-Dose Toxicity

Reliability: 1 - Valid Without Restrictions 

Reliability 

Remarks: 

Key Study Sponsor 

Indicator: 

Key 

Reference - Repeated-Dose Toxicity

Reference: Buesen, R., Strauss, V., Treumann, S., Fabian, E., van Ravenzwaay, 

B. 2010. 2,3-Pyridine Dicarboxylic Acid (PDC) Combined Repeated 

Dose Toxicity Study with the Reproduction/Developmental Toxicity 

Screening Test in Wistar Rats Oral Administration (Gavage). BASF 

DocID 2010/1173791. BASF SE, 67056 Ludwigshafen, Germany. 

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 Genetic Toxicity in vivo 

CAS Number : 89-00-9

Sponsored Chemical 

Name : 

2,3-Pyridinedicarboxylic acid

Test Substance - Genetic Toxicity in vivo

Test Substance: (89-00-9) 2,3-Pyridinedicarboxylic acid 

Test Substance 

Purity/Composition 

and Other Test 

Substance Comments: 

2,3-Pyridine Dicarboxylic Acid (PDC), Batch ID 

080319, CAS No 89-00-9, purity of 99.7% 

Sponsored Chemical 

Result Type: 

Measured 

Method - Genetic Toxicity in vivo

Type of Study: Bone Marrow Chromosomal Aberration 

Type of Test: Micronucleus assay 

Route of 

Administration: 

Oral 

Type of Exposure: Gavage 

Species: Mouse 

Strain: NMRI 

Gender: Male 

Dose: 500 mg/kg, 1000 mg/kg, and 2000 mg/kg body weight 

Year Study Performed: 2008 

Method/Guideline 

Followed: 

OECD 474 

GLP: Yes 

Duration of 

Treatment/ 

Exposure Period and 

Units: 

24 Hours 

Frequency of 

Treatment: 

Twice 

Positive, Negative, and 

Solvent 

Control Substance(s): 

The vehicle control: 20 mL corn oil 

The positive control: 20 mg/kg cyclophosphamide (CPP, 

Endoxan®; Baxter Oncology GmbH; Cat. No.E 432-1; 

contains 100 mg CPP) orally and 0.15 mg/kg 

vincristine sulfate (VCR, SIGMA; Cat. No. V-8879; 

purity: 90 - 95%) intraperitoneally. Positive 

controls were administered once 

Number of Animals per 

Sex 

and Dose Group: 

5 mice/dose (for vehicle control, positive control 

and test substance groups) 

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Method/Guideline and 

Test Condition 

Remarks: 

The study was conducted according to the following 3 

test guidelines: 

1)OECD Guideline for the Testing of Chemicals No. 

474, 21 Jul 1997, "Mammalian Erythrocyte Micronucleus 

Test"; 

2)Commission Regulation (EC) No 440/2008 of 30 May 

2008 laying down test methods pursuant to Regulation 

(EC) No 1907/2006 of the European Parliament and of

the Council on the Registration, Evaluation, 

Authorisation and Restriction of Chemicals (REACH),

Part B: Methods for the determination of toxicity and 

other health effects: Mutagenicity - In vivo 

Mammalian Erythrocyte Micronucleus Test, No B. 12; No 

L 142; 

3)US EPA OPPTS 870.5395, Aug 1998, "Mammalian 

Erythrocyte Micronucleus Test" 

Male mice were 5-8 weeks of age with a mean body 

weight at the beginning of the study of 29.2 g. The

mice were housed in Makrolon cages, type M I; single 

housing, in fully air-conditioned rooms with central 

AC. The acclimatization period was at least 5-days

and the temperature was 20-24 degrees C with a 

relative humidity of 30-70%. The photoperiod was 12-

hours of light (from 6:00 to 18:00 hours) and 12-

hours darkness (from 18:00 to 6:00 hours). The feed

was standardized pelleted feed (Maus/Ratte Haltung 

"GLP", Provimi Kliba SA, Kaiseraugst, Switzerland) 

and drinking water from bottles was available ad 

libitum. The bedding was Type Lignocel FS 14 fibres, 

dustfree bedding, supplied by SSNIFF, Soest, Germany. 

Mice were given 2,3-Pyridine Dicarboxylic Acid (PDC) 

suspended in corn oil at dose levels of 500 mg/kg, 1 

000 mg/kg and 2 000 mg/kg body weight. Treatment 

consisted of two oral administrations (24-hour 

interval between both administrations), except for 

both positive control groups which were administered 

once only. The volume administered was 20 mL/kg body 

weight and 10 mL/kg body weight for the test 

substance and positive control groups, respectively. 

To achieve homogeneity of the test substance in the

vehicle, the test substance preparations were stirred 

with an ultraturrax. All test substance formulations 

were prepared immediately before administration. For 

determination of the test substance concentrations in 

the vehicle, at least 3 samples of each dose were 

analyzed by HPLC. 

Bone marrow was prepared as follows: the two femora

of the animals sacrificed by cervical dislocation 

were prepared by dissection and removing all soft 

tissues. After cutting off the epiphyses, the bone 

marrow was flushed out of the diaphysis into a 

centrifuge tube using a cannula filled with fetal 

calf serum (FCS) which was pre-heated up to 37°C 

(about 2 mL/femur). The suspension was mixed 

thoroughly with a pipette and centrifuged at 300 x g 

for 5 minutes. The supernatant was removed and the 

precipitate was resuspended in about 50 microliters

fresh FCS. One drop of this suspension was dropped 

onto clean microscopic slides, using a Pasteur 

pipette. Smears were prepared using slides with 

ground edges. The preparations were dried in the air 

and subsequently stained with eosin and methylene 

blue (modified May-Grünwald solution or Wrights 

solution) for about 5 minutes. After briefly rinsing 

in purified water, the preparations were soaked in 

purified water for about 2 - 3 minutes. Subsequently, 

the slides were stained with Giemsa solution (15 mL

Giemsa plus 185 mL purified water) for about 15 

minutes. After rinsing twice in purified water and 

clarifying in xylene, the preparations were mounted

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in Corbit-Balsam. 

In general, 2,000 polychromatic erythrocytes (PCE) 

were evaluated for the occurrence of micronuclei from 

each animal of every test group, so in total 10,000

PCEs were scored per test group. The normochromatic

erythrocytes (= normocytes / NCE) were also scored.

The statistical evaluation of the data was carried 

out using the program system MUKERN (BASF SE). The 

asymptotic U test according to MANN-WHITNEY (modified 

rank test according to WILCOXON) was also used. 

Test Results - Genetic Toxicity in vivo

Systemic Toxicity: No Effects 

Genotoxic Effect: Negative 

Results Remarks: Analytical confirmation of the doses indicated 

attaiment of 93.2% to 111.4% of nominal. 

There were no statistically significant or 

biologically relevant differences in the frequency of 

erythrocytes containing micronuclei between the 

vehicle control and the three dose groups. (Rates, 

per mille, were 0.9 for the vehicle control, 0.7 for 

the 500 mg/kg group, 1.1 for the 1,000 mg/kg group 

and 1.4 for the 2,000 mg/kg group). The positive 

control substance for clastogenicity, 

cyclophosphamide, led to a statistically significant 

increase (10.5 per mille) in the number of 

polychromatic erythrocytes containing exclusively 

small micronuclei, as expected. Vincristine sulfate, 

a spindle poison, produced a statistically 

significant increase (57.3 per mille ) in the number 

of polychromatic erythrocytes containing micronuclei. 

A significant portion increase, 13.2 per mille, was

attributable to large micronuclei. The number of 

normochromatic or polychromatic erythrocytes 

containing small micronuclei (d <D/4) in the PDCdosed groups did not deviate significantly from the

vehicle control values and was within the historical 

vehicle control data range. Large micronuclei (d 

>D/4) were not observed either in the vehicle control 

or dosed groups. No inhibition of erythropoiesis 

induced by the treatment of mice with 2,3-Pyridine 

Dicarboxylic Acid (PDC) was detected. 

No clinical signs of toxicity were observed in the 

dosed animals, vehicle controls or positive controls. 

Study acceptance criteria were met. A sufficient 

number of analyzable cells were evaluated and there

was a clear differentiation between PCEs and NCEs; 

the ratio of PCEs/NCEs in the vehicle controls was 

within the normal range for the animal; the number of

cells containing micronuclei in the vehicle controls 

was within the historical range for controls for PCEs 

and NCEs; and the positive control substances had a

distinct increase in the number of PCEs containing 

small and/or large micronuclei within the historical 

range. 

Conclusion: The test substance 2,3-Pyridine Dicarboxylic Acid 

(PDC) has no chromosome-damaging (clastogenic) effect 

nor does it lead to any impairment of chromosome 

distribution in the course of mitosis (aneugenic 

activity) in bone marrow cells in vivo. 

Reliability/Data Quality - Genetic Toxicity in vivo

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Reliability: 1 - Valid Without Restrictions 

Reliability Remarks: 

Key Study Sponsor 

Indicator: 

Key 

Reference - Genetic Toxicity in vivo

Reference: Schulz, M., Landsiedel, R. 2008. 2,3-Pydidine 

Dicarboxylic Acid (PDC) Micronucleus Test in Bone 

Marrow Cells of the Mouse. BASF DocID 

2008/1087535. BASF Corporation, 63461 Missouri, USA. 

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 Genetic Toxicity in vitro 

CAS Number : 89-00-9

Sponsored 

Chemical Name : 

2,3-Pyridinedicarboxylic acid

Test Substance - Genetic Toxicity in vitro

Test Substance: (102268-15-5) 2,3-Pyridinedicarboxylic acid, 5-ethylTest Substance 

Purity/Composition 

and Other Test 

Substance 

Comments: 

The test substance, CL 271,197, sample number AC 5041-88, had 

a purity of 98%. 

Sponsored 

Chemical Result 

Type: 

See Test Plan and Category Analysis 

Method - Genetic Toxicity in vitro

Type of Study: Bacterial reverse mutation assay 

Concentrations: On the basis of the test substance as received, the dose 

levels were 1020 mcg for the disc test and 51, 161, 510, 1613, 

and 5100 mcg/plate, respectively, for the plate test. 

Year Study 

Performed: 

1986 

Method/Guideline 

Followed: 

GLP: No Data 

Postive, Negative, 

and Solvent 

Control Substance

(s): 

All assays were conducted using concurrent positive and 

negative [solvent] controls. 

Method/Guideline 

and 

Test Condition 

Remarks: 

Approximately 1E8 cells from overnight cultures of histidine 

dependent tester strains of Salmonella typhimurium TA 1535 and 

TA 100 and TA 1537, TA 1538, and TA 98, as well as a 

tryptophan dependent tester strain of E. coli WP2urvA-, were 

exposed to various concentrations of the test substance. 

Plates were incubated for about 48 hours. Tests were carried 

out with and without activation, using Aroclor-induced rat 

liver homogenate S-9. Plates showing evidence of toxicity to 

the bacteria [as determined by examination of the background 

lawn, by the presence of reduced numbers of revertants 

(compared to the solvent controls), or by confirmation of 

phenotype (as shown by inability to grow when transferred to 

selective medium)] are not included in the calculations. 

In this particular study, four samples of CL 271,197 were 

tested in the bacterial/microsome reverse mutation test. Only 

the sample with the highest purity, AC5041-88 (98% pure), will 

be discussed. 

AC 5041-88 was tested using six strains (S. typhimurium TA 98, 

TA 100, TA 1535, TA 1537, TA 1538, and E. coli WP2uvrA-) for 

the disc and plate assays. The disc assay was performed at 

1000 mcg/disc, 1 replication per dose level. The plate assay 

was performed 50, 158, 500, 1581, and 5000 mcg/plate, 3 

replications per dose level. The dose levels listed for this 

sample represents amounts of CL 271,197 as corrected for 

sample purity. On the basis of CL 271,197 as received, the 

dose levels are 1020 mcg for the disc test and 51, 161, 510, 

1613, and 5100 mcg/plate, respectively, for the plate test. 

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All assays were conducted using concurrent positive and 

negative [solvent] controls. 

Test Results - Genetic Toxicity in vitro

Details on 

Cytogenetic Assay: 

Statistics: 

Effect : Species Other 

Species 

Strain Other 

Strain 

Metabolic 

Activation 

Genotoxic 

Effect 

Conclusion 

 

Results Remarks: No mutagenic activity was observed with or without S-9 

metabolic activation. 

Conclusion: The test substance is not mutagenic in the Ames 

microsome/bacterial testing system. 

Reliability/Data Quality - Genetic Toxicity in vitro

Reliability: 1 - Valid Without Restrictions 

Reliability 

Remarks: 

The study is similar to OECD Guideline 471 Bacterial Reverse 

Mutation Test. 

Key Study Sponsor 

Indicator: 

Key 

Reference - Genetic Toxicity in vitro

Reference: Bennett, W.J. 1986. Acute Toxicity and Mutagenicity Testing of 

CL 271,197. American Cyanamid Company. 

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 Reproductive Toxicity 

CAS Number : 89-00-9

Sponsored 

Chemical Name : 

2,3-Pyridinedicarboxylic acid

Test Substance - Reproductive Toxicity

Test Substance: (89-00-9) 2,3-Pyridinedicarboxylic acid 

Test Substance 

Purity/Composition 

and Other Test 

Substance 

Comments: 

2,3-Pyridine Dicarboxylic Acid (PDC), Batch number 080319, 99.7% 

purity 

Sponsored 

Chemical Result 

Type: 

Measured 

Method - Reproductive Toxicity

Route of 

Administration: 

Oral 

Type of Exposure: Gavage 

Species: Rat 

Mammalian Strain: Wistar 

Gender: Both M/F 

Number of Animals 

per Dose: 

20 

Dose: Test substance: 50 mg/kg bw/d, 250 mg/kg bw/d or 1000 mg/kg bw/d 

Vehicle control: 1% Carboxymethylcellulose 

Year Study 

Performed: 

2010 

Method/Guideline 

Followed: 

OECD 422 

GLP: Yes 

Exposure Period: 31 - 56 Days 

Frequency of 

Treatment: 

Daily 

Post-Exposure 

Period: 

1 Days 

Method/Guideline 

and 

Test Condition 

Remarks: 

The study was carried out in accordance with or exceeding the 

requirements of the following test guidelines: 

(1) OECD Guidelines for Testing of Chemicals; No. 422, Combined 

Repeated Dose Toxicity Study with the Reproduction/Developmental 

Toxicity Screening Test (22 Mar 1996); 

(2) EPA, Health Effects Test Guidelines; OPPTS 870.3650: Combined 

Repeated Dose Toxicity Study With the Reproduction/Developmental 

Toxicity Screening Test (Jul 2000) 

2,3-Pyridine Dicarboxylic Acid (PDC) was administered orally by 

gavage to groups of 10 male and 10 female Wistar rats (F0 animals). 

The duration of treatment covered a 2-week pre-mating and mating 

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period in both sexes, approximately 1 week post-mating in males, 

the entire gestation period as well as 4 days of lactation in 

females followed by an additional treatment until one day before 

sacrifice. 

F0 animals were mated 13 days after the beginning of treatment to 

produce litter (F1 generation pups). Mating pairs were from the 

same test group. Mating was discontinued as soon as sperm was 

detected in the vaginal smear. F0 animals were examined for their 

reproductive performance including determination of the number of 

implantation sites and the calculation of postimplantation loss for 

all F0 females. 

Male and female rats were 9-13 weeks of age at the start of the 

administration period. The rats were housed individually in 

Makrolon type M III cages supplied by Becker & Co., Castrop-Rauxel, 

Germany (floor area of about 800 cm2), with the following 

exceptions: (a) During overnight matings, male and female mating 

partners were housed together in Makrolon type M III cages; (b) 

Pregnant animals and their litters were housed together until PND 4 

(end of lactation); (c) For motor activity (MA) measurements the 

animals were housed individually in polycarbonate cages with wire 

covers from Ehret, Emmendingen, Germany (floor area of about 800 

cm2) and small amounts of bedding material. The animals were housed 

in fully air-conditioned rooms with a temperature range of 20-24 

degrees C and a relative humidity range of 30-70%. The air change 

rate was 10 times per hour. The day/night cycle was 12 hours (12 

hours light from 06:00 h to 18:00 h; 12 hours dark from 18:00 h to 

06:00 h). Food (ground Kliba maintenance diet mouse/rat "GLP" meal, 

supplied by Provimi Kliba SA, Kaiseraugst, Switzerland) and 

drinking water in bottles was available ad libitum.

The aqueous test substance suspensions were prepared at the 

beginning of the administration period and thereafter at intervals 

that took into account the analytical results of the stability 

verification. For the test substance preparation, the specified 

amount of the test substance was weighed into a calibrated beaker, 

topped up with drinking water containing 1% Carboxymethylcellulose 

and was intensely mixed with a homogenizer. A magnetic stirrer was 

used to keep the preparations homogeneous during treatment of the 

animals. Samples of the test substance preparations were collected 

at the beginning and towards the end of the administration period 

for verification of the concentrations. 

Cageside examinations were conducted at least daily for any 

abnormalities. Generally, food consumption and body weight were 

measured once a week. Detailed clinical observations were performed

prior to administration and weekly thereafter. Parameters examined 

included behavior, fur, skin, posture, salivation, nassl discharge,

respiration, activity/arousal level, tremors, convulsions, abnormal

movements, impairment of gait, lacrimation, palpebral closure,

exopthalmos, pupil size, appearance/consistency of feces, urine, 

and other findings. 

A detailed clinical observation (DCO) was performed in all F0 

animals before test substance administration and thereafter at 

weekly intervals. Food consumption of the F0 parents was determined

regularly during premating and after the mating period and during 

the gestation and lactation periods in dams. In general, body 

weights of F0 animals were determined once a week. Clinicochemical 

and hematological examinations and urinalyses were performed in 5 

F0 parental animals of either sex and group towards the end of the 

administration period. At the end of the administration period a 

functional observational battery was performed and motor activity 

was measured in 5 F0 parental males and females per test 

group. All surviving F0 parental animals were sacrificed and 

assessed by gross pathology. Organ weights were recorded and a 

histopathological examination was performed. 

At the end of the study (males: study day 31, females: study days 

53 and 56), the animals were sacrificed after a fasting period 

(withdrawal of food) for at least 16-20 hours. The following organs 

were weighed: liver, kidneys, adrenal glands, testes, epididymides, 

prostate, seminal vesicles including coagulation glands, ovaries, 

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uterus, thymus, spleen, brain, heart, and thyroid glands (with 

parathyroids). For at least the vehicle control and high dose 

groups, histopathological examinations were made on these organs 

plus the following: trachea, lungs, spinal cord, sciatic nerve, 

lymph nodes, stomach, intestines, bladder, and bone marrow. All 

gross lesions were examined. 

Statistical tests used included DUNNETT-test (two-sided) for 

simultaneous comparison of all test groups with the control group; 

FISHER'S EXACT Test and WILCOXON-test (one-sided) for the pairwise 

comparison of each test group with the control group and KRUSKALWALLIS test (two-sided) for Non-parametric one-way analysis. 

Pre-Mating 

Exposure / Males: 

40 

Pre-Mating 

Exposure / 

Females: 

40 

Test Results - Reproductive Toxicity

Concentration 

(LOAEL/ LOAEC/ 

NOAEL/ NOAEC) :

LOAEL/ 

LOAEC/ 

NOAEL/ 

NOAEC 

Population Value 

Description 

Value/Lower 

Concentration 

Upper 

Concentration 

Units 

NOAEL Male = 1000 mg/kg 

bw/day 

NOAEL Female = 1000 mg/kg 

bw/day 

 

Results: Test group 1 (50 mg/kg bw/d) 

F0 parental animals Clinical Examinations: 

- No test-substance related, relevant findings were observed. 

F0 parental animals Fertility: 

- No test-substance related, relevant findings were observed. 

F0 parental animals Clinical Pathology: 

- No test-substance related, relevant findings were observed. 

F0 parental animals Pathology: 

- No test-substance related, relevant findings were observed. 

F1 pups: No test-substance related, relevant findings were 

observed. 

Test group 2 (250 mg/kg bw/d) 

F0 parental animals Clinical Examinations: 

- No test-substance related, relevant findings were observed. 

F0 parental animals Fertility: 

- No test-substance related, relevant findings were observed. 

F0 parental animals Clinical Pathology: 

- No test-substance related, relevant findings were observed. 

F0 parental animals Pathology: 

- Minimal desquamation of cecal epithelium in 4 males 

F1 pups: No test-substance related, relevant findings were 

observed. 

Test group 3 (1000 mg/kg bw/d) 

F0 parental animals Clinical Examinations: 

- Decreased food consumption in F0 parental males during the first 

study week 

- Body weight loss in F0 parental males through study week 0-1 and 

significantly lower mean body weight during study weeks 1-3. 

F0 parental animals Fertility: 

- No test-substance related, relevant findings were observed. 

F0 parental animals Clinical Pathology: 

- No test-substance related, relevant findings were observed. 

F0 parental animals Pathology: 

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- Reduced terminal body weight of male animals 

- Minimal to mild desquamation of cecal epithelium in 7 males 

- Minimal to moderate increase in apoptotic cell numbers of the 

cecal epithelium in 5 males and 7 females 

- Minimal to moderate increase in starry sky cells in the thymus of 

3 males and 2 females. 

F1 pups: No test-substance related, relevant findings were 

observed. 

Results Remarks: No treatment-related effects were observed on any of the following 

parameters: male mating index, male fertility index, female mating 

index, female fertility index, gestation index, mean number of 

implantation sites, postimplantation loss, or live birth indices. 

Conclusion: The no observed adverse effect level (NOAEL) for reproductive 

performance and fertility in male and female Wistar rats was 1000 

mg/kg bw/d. The NOAEL for general, systemic toxicity of the test

substance was 50 mg/kg bw/d for the male F0 parental animals based 

on impaired body weight data as well as pathological findings in 

the gastrointestinal tract and 250 mg/kg bw/d for the female F0 

parental animals based on pathological findings in the 

gastrointestinal tract. 

Reliability/Data Quality - Reproductive Toxicity

Reliability: 1 - Valid Without Restrictions 

Reliability 

Remarks: 

Key Study Sponsor 

Indicator: 

Key 

Reference - Reproductive Toxicity

Reference: Buesen, R., Strauss, V., Treumann, S., Fabian, E., van Ravenzwaay, 

B. 2010. 2,3-Pyridine Dicarboxylic Acid (PDC) Combined Repeated 

Dose Toxicity Study with the Reproduction/Developmental Toxicity 

Screening Test in Wistar Rats Oral Administration (Gavage). BASF 

DocID 2010/1173791. BASF SE, 67056 Ludwigshafen, Germany. 

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 Developmental Toxicity/Teratogenicity 

CAS Number : 89-00-9

Sponsored 

Chemical Name : 

2,3-Pyridinedicarboxylic acid

Test Substance - Developmental Toxicity/Teratogenicity

Test Substance: (89-00-9) 2,3-Pyridinedicarboxylic acid 

Test Substance 

Purity/Composition 

and Other Test 

Substance 

Comments: 

2,3-Pyridine Dicarboxylic Acid (PDC), Batch number 080319, 99.7% 

purity 

Sponsored 

Chemical Result 

Type: 

Measured 

Method - Developmental Toxicity/Teratogenicity

Route of 

Administration: 

Oral 

Type of Exposure: Gavage 

Species: Rat 

Mammalian Strain: Wistar 

Gender: Both M/F 

Number of Animals 

per Dose: 

20 

Dose: Test substance: 50 mg/kg bw/d, 250 mg/kg bw/d or 1000 mg/kg bw/d 

Vehicle control: 1% Carboxymethylcellulose 

Year Study 

Performed: 

2010 

Method/Guideline 

Followed: 

OECD 422 

GLP: Yes 

Exposure Period: 31 - 56 Days 

Frequency of 

Treatment: 

Daily 

Post-Exposure 

Period: 

1 Days 

Method/Guideline 

and 

Test Condition 

Remarks: 

The study was carried out in accordance with or exceeding the 

requirements of the following test guidelines: 

(1) OECD Guidelines for Testing of Chemicals; No. 422, Combined 

Repeated Dose Toxicity Study with the Reproduction/Developmental 

Toxicity Screening Test (22 Mar 1996); 

(2) EPA, Health Effects Test Guidelines; OPPTS 870.3650: Combined 

Repeated Dose Toxicity Study With the Reproduction/Developmental 

Toxicity Screening Test (Jul 2000) 

2,3-Pyridine Dicarboxylic Acid (PDC) was administered orally by 

gavage to groups of 10 male and 10 female Wistar rats (F0 animals). 

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The duration of treatment covered a 2-week pre-mating and mating 

period in both sexes, approximately 1 week post-mating in males, 

the entire gestation period as well as 4 days of lactation in 

females followed by an additional treatment until one day before 

sacrifice. 

F0 animals were mated 13 days after the beginning of treatment to 

produce litter (F1 generation pups). Mating pairs were from the 

same test group. Mating was discontinued as soon as sperm was 

detected in the vaginal smear. F0 animals were examined for their 

reproductive performance including determination of the number of 

implantation sites and the calculation of postimplantation loss for 

all F0 females. 

Male and female rats were 9-13 weeks of age at the begginning of 

the study. The rats were housed individually in Makrolon type M 

III cages supplied by Becker & Co., Castrop-Rauxel, Germany (floor 

area of about 800 cm2), with the following exceptions: (a) During 

overnight matings, male and female mating partners were housed 

together in Makrolon type M III cages; (b) Pregnant animals and 

their litters were housed together until PND 4 (end of lactation); 

(c) For motor activity (MA) measurements the animals were housed 

individually in polycarbonate cages with wire covers from Ehret, 

Emmendingen, Germany (floor area of about 800 cm2) and small 

amounts of bedding material. The animals were housed in fully airconditioned rooms with a temperature range of 20-24 degrees C and a 

relative humidity range of 30-70%. The air change rate was 10 times 

per hour. The day/night cycle was 12 hours (12 hours light from 

06:00 h to 18:00 h; 12 hours dark from 18:00 h to 06:00 h). Food 

(ground Kliba maintenance diet mouse/rat "GLP" meal, supplied by 

Provimi Kliba SA, Kaiseraugst, Switzerland) and drinking water in 

bottles was available ad libitum. 

The aqueous test substance suspensions were prepared at the 

beginning of the administration period and thereafter at intervals 

that took into account the analytical results of the stability 

verification. For the test substance preparation, the specified 

amount of the test substance was weighed into a calibrated beaker, 

topped up with drinking water containing 1% Carboxymethylcellulose 

and was intensely mixed with a homogenizer. A magnetic stirrer was 

used to keep the preparations homogeneous during treatment of the 

animals. Samples of the test substance preparations were taken at 

the beginning and towards the end of the administration period for 

verification of the concentrations. 

A detailed clinical observation (DCO) was performed in all F0 

animals before test substance administration and thereafter at 

weekly intervals. Food consumption of the F0 parents was determined

regularly during premating and after the mating period and during 

the gestation and lactation periods in dams. In general, body 

weights of F0 animals were determined once a week. Clinicochemical, 

hematological examinations and urinalyses were performed in 5 F0 

parental animals of either sex and group towards the end of the 

administration period. 

All pups delivered from the F0 parents were examined as soon as 

possible on the day of birth to determine the total number of 

liveborn and stillborn pups in each litter, as well as 

macroscopically evident changes. Pups were examined daily for 

clinical symptoms. Body weight was determined one day after birth 

(PND 1) and on PND 4. All surviving pups (sacrificed on PND 4), all 

stillborn pups and those which died ahead of schedule were examined 

externally, eviscerated, and their organs were assessed 

macroscopically. 

Statistical tests used included DUNNETT-test (two-sided) for 

simultaneous comparison of all test groups with the control group; 

FISHER'S EXACT Test and WILCOXON-test (one-sided) for the pairwise 

comparison of each test group with the control group and KRUSKALWALLIS test (two-sided) for Non-parametric one-way analysis. 

Test Results - Developmental Toxicity/Teratogenicity

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Concentration 

(LOAEL/ LOAEC/ 

NOAEL/ NOAEC) :

LOAEL/ 

LOAEC/ 

NOAEL/ 

NOAEC 

Population Value 

Description 

Value/Lower 

Concentration 

Upper 

Concentration 

Units 

NOAEL Offspring 

(F1) 

= 1000 mg/kg 

bw/day 

 

Results Remarks: No test-substance related, relevant findings were observed in F1 

pups in any of the test groups (50 mg/kg bw/day, 250 mg/kg bw/d or 

1000 mg/kg bw/d). No test-substance related effects were seen upon 

pup number and status at delivery, pup viability, or sex ratio. 

There were no significant findings of clinical observations or 

necropsy. Mean pup body weights were increased in all trested 

groups on PND 1 and in the mid-dose group on PND 4. These 

differences were mainly caused by low pup body weight in the 

controls and were assessed as spontaneous and without biological 

relevance. 

Conclusion: The NOAEL for developmental toxicity was 1000 mg/kg bw/d. 

Reliability/Data Quality - Developmental Toxicity/Teratogenicity

Reliability: 1 - Valid Without Restrictions 

Reliability 

Remarks: 

Key Study Sponsor 

Indicator: 

Key 

Reference - Developmental Toxicity/Teratogenicity

Reference: Buesen, R., Strauss, V., Treumann, S., Fabian, E., van Ravenzwaay, 

B. 2010. 2,3-Pyridine Dicarboxylic Acid (PDC) Combined Repeated 

Dose Toxicity Study with the Reproduction/Developmental Toxicity 

Screening Test in Wistar Rats Oral Administration (Gavage). BASF 

DocID 2010/1173791. BASF SE, 67056 Ludwigshafen, Germany. 

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 Use Information 

CAS Number : 89-00-9

Sponsored Chemical 

Name : 

2,3-Pyridinedicarboxylic acid

Test Substance: (89-00-9) 2,3-Pyridinedicarboxylic acid 

Test Substance 

Purity/Composition 

and Other Test 

Substance Comments: 

Reference: 

Description: 

Use Pattern: PDC is used in the manufacture of the herbicide 

imazapyr. The production volume of PDC is greater 

than 1 million pounds per year; hence PDC is an HPV

chemical. The greatest possibility for exposure to

workers in the manufacturing process of PDC occurs 

during the solid charging operation. In order to 

minimize exposure, operators involved in this 

manufacturing step wear a full face organic vapor 

respirator that includes a dust cartridge, as well as 

dermal protection. All subsequent processing occurs 

in closed systems with no routine exposure possible

except for QC sampling. All sampling is performed 

with the proper personal protective equipment (PPE), 

using sample stations designed to minimize the 

possibility of exposure. Samples are handled in 

laboratory settings according to a chemical hygiene

plan and using engineering controls such as fume 

hoods. PDC is not volatile, so the probability of 

inhalation exposure is quite low and air monitoring

is not warranted. Dermal exposures that might be 

associated with sampling the materials (and waste 

streams) during the manufacturing process are 

prevented through worker training regarding proper 

health and safety procedures, the use of proper PPE, 

and engineering controls. 

The vast majority of PDC is converted to the 

herbicide imazapyr, and the inventory of PDC on site 

for manufacturing at any one time is small. Larger

amounts are stored in warehouses. Any small amount

of PDC that might end up in the final product is 

regulated by the active ingredient registration. All 

organic and aqueous waste streams from the process 

that use PDC are incinerated on site or disposed of

via an on-site deep well. Potential environmental 

exposures are limited to transportation accidents en 

route to the manufacturing sites or spills on such 

sites, which are handled in accordance with 

recognized emergency response and safety procedures, 

respectively, to minimize potential 

exposures. Should a spill occur, the dispersion of

PDC would be minimal. As PDC is a solid, a rainfall 

event would be needed to mobilize the material such

that it would dissolve into water or bind to 

soil. The use of secondary containment at the 

manufacturing sites further limits potential 

environmental release. In summary, PDC poses a 

minimal exposure threat to workers and the 

environment. 

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Last updated on Tuesday, February 08, 2011

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