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11111111111111111111111111111111111111111111 

PMN2011P1 PMN Page 1 

Form Approved. 

U.S. ENVIRONMENTAL PROTECTION AGENCY 

Date of receipt: 

E F 11111111111111111111111111111111111111111111111111111111111111111\l~ \IIIII 

51110000204.1"' Company Sanitized 

When 

completed. 

send th1s 

form to 

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GENERAL INSTRUCTIONS 

Submission Re ort Number 

PROC110207243555108 

TS Number 

P1001C 

• You must provide all information requested In this form to the extent that it is known to or reasonably ascertainable by you. Make reasonable estimates W you do not have actual data. 

• Before you complete this form, you should read the "Instructions Manual for Premanufacture Notification· (the Instructions Manual is available from the Toxic Substances Control Act 

(TSCA) Information Service by calling 202-554-1404, or faxing 202-554-5603). 

• if a user fee has been remitted for this notice (40 CFR 700.45), Indicate In the boxes above the TS-user fee identification number you have generated. Remember, your user fee ID number 

must also appear on your corresponding fee remittance. For mailing address information see the Help instructions in the e-PMN tool. 

Part 1- GENERAL INFORMATION 

You must provide the currently correct Chemical Abstracts (CA) 

Name of the new chemical substance, even if you claim the 

identity as confidential. You may authorize another person to 

submit chemical identity information for you, but your submission 

will not be complete and the review will not begin until EPA 

receives this information. A letter in support of your submission 

should reference your TS user fee identification number. For all 

Section 5 Notice submissions (paper or electronic) you must 

submit an original notice including all test data; if you claimed any 

information as confidential, an original sanitized copy must also be 

submitted. 

Part II- HUMAN EXPOSURE AND ENVIRONMENTAL 

RELEASE 

If there are several manufacture, processing, or use operations to 

be described in Part II, sections A and B of this notice, reproduce 

the sections as needed. 

Part Ill- LIST OF ATTACHMENTS 

For paper submissions, attach additional sheets if there is not 

enough space to answer a question tully. Label each continuation 

sheet with the corresponding section heading. In Part Ill, list these 

attachments, any test data or other data and any optional 

information included in the notice. 

OPTIONAL INFORMATION 

You may include any information that you want EPA to consider in 

evaluating the new substance. On page 11 of this form, space has 

been provided for you to describe pollution prevention and 

recycling information you may have regarding the new substance. 

"Binding" boxes are included throughout this form for you to 

indicate your willingness to be bound to certain statements you 

make in this section, such as use, production volume, protective 

equipment •.• The intention is to reduce delays that routinely 

accompany the development of consent orders or Significant New 

Use Rules. Checking a "binding" box in a PMN does not by itself 

prohibit the submitter from later deviating from the information 

(except chemical identity) reported in the form; however, in the 

case of exemption applications (such as TMEA, LVE, LOREX) 

certain information provided in such notifications is binding on the 

submitter when the Agency approves the exemption application, 

especially if the production volume "binding" box is chosen in a 

LVE. 

CONFIDENTIALITY CLAIMS 

You may claim any information in this notice as confidential. To 

assert a claim on the form, mark (X) the confidential box next to 

the information that you claim as confidential. To assert a claim in 

an attachment, circle or bracket the information you claim as 

confidential. If you claim information in the notices as confidential. 

you must also provide a sanitized version of the notice. (including 

attachments). For additional instructions on claiming information 

as confidential, read the Instructions Manual. 

EPA FORM 7710-25 (Rev. 6-09) 

TEST DATA AND OTHER DA~111 0000204 P-11·0204 

You are required to submit all test data in your possession or control and to provide a 

description of all other data known to or reasonably ascertainable by you, if these data are 

related to the health and environmental effects on the manufacture, processing, distribution in 

commerce, use, or disposal of the new chemical substance. Standard literature citations may 

be submitted for data in the open scientific literature. Complete test data !written in English). 

not summaries of data. must be submitted if they do not appear in the open literature. You 

should clearly identify whether test data is on the substance or on an analog. Also, the 

chemical composition of the tested material should be characterized. Following are examples 

of test data and other data. Data should be submitted according to the requirements of 

§720.50 of the Premanufacture Notification Rule (40 CFR Part 720). 

D 

D 

0 

D 

D 

0 

D 

D 

D 

D 

D 

D 

D 

D 

Test Data (Check Below any Included In this notice) 

Environmental fate data 0 Other Data 

Health effects data 0 Risk Assessments 

Environmental effects data 0 Structure/activity relationships 

Physical/Chemical Properties (A physical and chemical properties worksheet is 

located on the last page of this form.) 

Test data not in the possession or control of the submitter 

TYPE OF NOTICE (Check Only One) 

PMN (Premanufacture Notice) 

SNUN (Significant New Use Notice) 

TMEA (Test Marketing Exemption Application) 

LVE (low Volume Exemption)@ 40 CFR 723.50(c)(1) 

r 

LOREX (Low Release/Low Exposure Exemption)@ 40 CFR 723.5~2) 

LVE Modification 

LOREX Modification 

Mock Submission 

Mark (X) if pending Letter of Support 

IS THIS A CONSOLIDATED PMN (Y/N)? 

#of chemicals or polymers (Prenotice Communication # required, enter# on 

p. 3). 

Mark (X) if any information in this notice is claimed as confidential. 

Replaces previous editions of EPA Form 7710-25 

Page2 P-11-0204 
t 

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11111111111111111111111111111111111111111111 SANITIZED SUBMISSION 

PMN2011P2 PMN Page 2 

The public reporting and recordkeeping burden for this collection of information is estimated to average 93 hours per response. Send 

comments on the Agency's need for this information, the accuracy of the provided burden estimates, and any suggested methods for 

minimizing respondent burden, including through the use of automated collection techniques to the Director, Collection Strategies 

Division, U.S. Environmental Protection Agency (2822T), 1200 Pennsylvania Ave., NW, Washington, D.C. 20460. Include the OMB 

control number in any correspondence. Do not send the completed EPA Form 7710-25 to this address. 

CERTIFICATION ··A printed copy of this signature page, with original signature, must be submitted 

with CD or paper submission. 

I certify that to the best of my knowledge and belief: 

1. The company named in Part I, section A, subsection 1 a of this notice form intends to 

manufacture, import or process for a commercial purpose, other than in small quantities solely for 

research and development, the substance identified in Part I, Section B. 

2. All information provided in this notice is complete and truthful as of the date of submission. 

3. I am submitting with this notice all test data in my possession or control and a description of all 

other data known to or reasonably ascertainable by me as required by §720.50 of the 

Premanufacture Notification Rule. 

Additional Certification Statements: 

If you are submitting a PMN, Intermediate PMN, Consolidated PMN, or SNUN, check the following user fee 

certification statement that applies: 

[2SJ The Company named in Part I, Section A has remitted the fee of $2500 specified in 40 CFR 700.45(b), or 

D 

D 

The Company named in Part I, Section A has remitted the fee of $1000 for an Intermediate PMN (defined@ 40 CFR 700.43) in 

accordance with 40 CFR 700.45(b), or 

The Company named in Part I Section A is a small business concern under 40 CFR 700.43 and has remitted a fee of $100 in 

accordance with 40 CFR 700.45(b). 

If you are submitting a Low Volume Exemption (LVE) application in accordance with 40 CFR 723.50(c)(1) or a 

Low Release and Low Exposure Exemption (LoRex) application in accordance with 40 CFR 723.50(c)(2), check 

the following certification statements: 

D The manufacturer submitting this notice intends to manufacture or import the new chemical substance for commercial purposes, 

other than in small quantities solely for research and development, under the terms of 40 CFR 723.50. 

D The manufacturer is familiar with the terms of this section and will comply with those terms; and 

D The new chemical substance for which the notice is submitted meets all applicable exemption conditions. 

D If this application is for an LVE in accordance with 40 CFR 723.50(c)(1), the manufacturer intends to commence manufacture of 

the exempted substance for commercial purposes within 1 year of the date of the expiration of the 30 day review period. 

The accuracy of the statements you make in this notice should reflect your best prediction of the 

anticipated facts regarding the chemical substance described herein. Any knowing and willful 

misrepresentation is subject to criminal penalty pursuant to 18 USC 1 001. 

Signature and title of 

Authorized Official (Original 

Signature Required) 

Date 

Confidential 

EPA FORM 7710-25 (Rev. 6-09) Replaces previous editions of EPA Form 7710-25 

Page 3 
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1111111111111111111111 

3 

11111111 SANITIZED SUBMISSION 

PMN2011 P3 PMN P age 

ill!!!!llet:::l.,l:::l:l.!.1: ,.,,~.:.UltJJ 

m<lli: 

Mark (X} the box next to ar lv !:I ' vou claim as 

1a. r.::n.,un'~' ,, "u~''""" (In: U.S:)' ' ' "' 

Name of Authorized Official (first) XXX (last) XXX 

Position XXX 

Company XXX [&] Mailing Address (number & street) XXX 

City XXX I State I Postal Code XXX 

email XXX 

b.,> 'AgQnt .. ,•r .. '>·:, ... .. ':i,' .. ·.,·' '': ,.,_>., .• ,·~-'' : :. ··,, ·,:.;.._,L ·k, ':',;:;':i::'.c \ 

Name of Authorized Official (first) (last) 

Position 

Company 

Mailing Address (number & street) D 

City I State I Postal Code 

e-mail (i~~~~ ~~~~~ea code) 

.c.;f::ic:;ii•.:: Jolnt;SUbr.uu""•' ··· ,..,.,.,.,~,, r:"'' , .. ,,,,,/0l:(':;:J,, 1- ,::;;:,:::'i: •<;ry "\;7:':·c s .,,, i.''', '"'' i\~ 

If you are submitting this notice as part of a joint submission, mark (X) I [ J 

Name of Authorized Official (first) (last) 

Position 

Company D 

Mailing Address (number & street) 

City [State l Postal Code 

e-mail li~~~ ~d'~'"' code) 

2-:. . I .• tln, U~S.J;,::c':i: .. : ,.;·.:,,,,, {>>: :. '· :;:;;:.::,:::<;: ... ::· ,',, ·,,,,:;;:/' '::.: ,:,,.,,,,,,(:;i:+'·::,: 

Name of Authorized Official (first>xxx (last) XXX 

Position XXX 

Company XXX 

IX] Mailing Address (number & street) XXX 

City XXX I State I Postal Code XXX 

e-mail XXX :i~~~~l I'UIIC 

XXX 'e area code} 

If you have had a prenotice communication (PC) concerning Mark (X) if none<··· "'""'u"''"'-'' 3. this notice and EPA assigned a PC Number to the notice, [XI D enter the number. 

If you.""' v '"":"s.!)' submitted an exemption application for the Mark (X) if none· ~ . ........................ chemical substance covered by this notice, enter the 

4. exemption number assigned by EPA. If you previously [XI D submitted a PMN forthis substance enter the PMN number 

,.,.,;nnon by EPA (i.e. withdrawn or 

If you have submitted a notice of Bona fide intent to Mark (X) if non& '!.,;'""'""'""'"'.•'· 

5. manufacture or import for the chemical substance covered [XI D by this notice, enter the notice number assigned by EPA. 

6. Type of Not ice - Mark (X) 

Manufacture Only D Import Only [X] D 1. 2; 3. Both 

Binding Option D Binding Option D 

EPA FORM 7710-25 (Rev. 6-09) Replaces previous editions of EPA Form 7710-25 

Page 

• '''"T ··~· 
SANITIZED SUBMISSION 

Class 1 or 2 chemical substances (for definitions of class 1 and class 

2 substances, see the Instructions Manual) 

a. Class of substance - Mark 

Class 1 

D 

Class 2 

D 

b. Chemical name (Currently correct Chemical Abstracts (CA) Name that is consistent with TSCA Inventory listings for similar 

substances. For Class 1 substances a CA Index Name must be provided. For Class 2 substances either a CA Index Name orCA 

Preferred which ever based on current CA index nomenclature 

XXX 

Enter Attachment filename for Part I, Section B, 1. e. 

CBI 

EPA FORM 7710-25 (Rev. 6-09) Replaces previous editions of EPA Form 7710-25 

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t' llllllllllllllllllllllllllllllllllllllllllllllllllllllllllll SANITIZED SUBMISSION PMN2011P4A PMN Page 4a 

For a class 2 substance- (1) List the immediate precursor substances with their respective CAS Registry Numbers. (2) Describe 

the nature of the reaction or process. (3) Indicate the range of composition and the typical composition (where appropriate). Confidential 

e. (1) List the immediate precursor substance names with their respective CAS Registry Numbers. [XI 

XXX 

Enter Attachment filename for Part I, Section B, 1. e. (1) I e. (2) Describe the nature of the reaction or process. 

XXX 

Enter Attachment filename for Part I, Section B, 1. e. (2) I e. (3) Indicate the range of composition and the typical composition (where appropriate). 

XXX 

Enter Attachment filename for Part I. Section B, 1. e. (3) I 

EPA FORM 7710-25 (Rev. 6-09) 

Page6 

l J 

l J 

D 

Replaces previous editions of EPA Form 7710-25 
t 111111111111111111 11111111111 

PMN2011P5 

Other (Specify Below) 0 

(i) lowest number average molecular 

weight: 

(ii) maximum weight % below 500 molecular 

weight: 

monomer or 

(X) the "Confidential" box next to any item you claim as confidential 

SANITIZED SUBMISSION 

(iii) maximum weight % below 1 000 molecular 

weight: 

(1) - Provide the specific chemical name and CAS Registry Number (if a number exists) of each monomer or other reactant used in the 

manufacture of the polymer. 

(2) - Mark (X) this column if entry in column (1) is confidential. 

(3) - Indicate the typical weight percent of each monomer or other reactant in the polymer. 

(4) - Choose "yes" from drop down menu if you want a monomer or other reactant used at two weight percent or less to be listed as part of 

the polymer description on the TSCA Chemical Substance Inventory. 

(5) - Mark (X) this column if entries in columns (3) and (4) are confidential. 

(6) - Indicate the maximum weight percent of each monomer or other reactant that may be present as a residual in the polymer as 

manufactured for commercial 

- Mark this 

Monomer or other reactant specific chemical name 

(1) 

EPA FORM 7710-25 (Rev. 6-09) 

Page 7 

Replaces previous editions of EPA Form 7710-25 
e. 

II II 

Method 1 (CAS Inventory Expert Service 

- a copy of the identification report obtained 

from CAS Inventory Expert Service must be 

this 

D 

Enter Attachment filename for Part I, Section B, 2. e. 

EPA FORM 7710-25 (Rev. 6-09) 

IES Order 

Number 

Page 8 

SANITIZED SUBMISSION 

this notice 

Method 2 

(other source) D 

D 

Replaces previous editions of EPA Form 7710-25 
11111111111 SANITIZED SUBMISSION 

PMN2U1· PMN P age 6 

( Part I -- GENERAL INFORMAT!()N_ -- Continued 

Section B -CHEMICAL IDENTITY INFORMATION - Continued 

3. Impurities 

(a) - Identify each impurity that may be reasonably anticipated to be present in the chemical substance as manufactured for commercial 

(b) -

purpose. Provide the CAS Registry Number if available. If there are unidentified impurities, enter "unidentified." 

Estimate the maximum weighf% of each imQllritv. If there are unidentified impurities, estimate their total weight %. 

CAS R~gistry IVICIJ\IIIIUIII Confi- Impurity (a) % dential (a) (b) 

Mark (X) this box if the data continues on the next page. D 

Enter Attachment filename for Part I, Section B, 3. I D 

4. Synonyms - Enter any chemical synonyms for the new chemical identified in subsection 1 or 2. 

n/a D 

Enter ~""'v' .. "V"' I, ,8,4. I [ J 

5. Trade identification - List trade names for the new chemical substance identified in subsection 1 or 2. 

XXX 

[X] 

"""""""'"'".filename for Part I, Section B, 5. I [ ] 

6. Generic chemical name - If you claim chemical identify as confidential, you must provide a generic name for your substance that reveals the 

specific chemical identity of the new chemical substance to the maximum extent possible. Refer to the TSCA Chemical 

Substance Inventory, 1985 Edition, Appendix B for guidance on developing generic names. 

Acetaldehyde, substituted-, reaction products with 2-butyne-1,4-diol 

Enter ""'"''I" 110:::111 filename for Part I, Section B, 6. I ! '""~~7~ 

7. Byproducts - Describe any byproducts resulting from the manufacture, processing, use, or disposal of the new chemical substance. Provide the 

CAS Registry Number if available. 

Byproduct (1) CASRegi~ryNumber- Conti-

(2) dential 

Mark (X) this 'the data continues on the next page. l J '···· ... ·.· . .l·~ EPA FORM 7710-25 (Rev. 6-09) Replaces previous editions of EPA Form 7710-25 

Page 9 

r~- •, " 

I 
1111111111111111111111111111111111111111111111111111111 SANITIZED SUBMISSION 

PMN2011P7 PMN P age 7 

Part I-- GENERAL INFORMATION-- Continued 

Section C - PRODUCTION, IMPORT, AND USE INFORMATION: 

The Information on this page refers to consolidated chemical number(s): 01 [ J 2 []3 [ J 4 [ 5 ]6 

Mark (X) the "Confidential" box next to any item you claim as confidential. 

1. Production volume- Estimate the maximum production volume during the first 12 months of production. Also estimate the maximum production 

volume for any consecutive 12-month period during the first three years of production. Estimates should be on 1 00% new chemical substance basis. 

For a Low Volume Exemption application, if you choose to have your notice reviewed at a lower production volume than 10,000 kg/yr. specify the 

volume and mark (x) in the binding box. If granted, you are bound to this volume. 

Maximum first 12-month production (kg/yr) Maximum 12-month production (kg/yr) Confidential Binding Option 

(100% new chemical substance basis) (1 00% new chemical substance basis) Mark (X) 

XXX XXX [X] D 

Enter Attachment filename for Part I, Section C, 1. I CBI l J 

2. Use Information- You must make separate confidentiality claims for the description of the category of use, the percent of production volume devoted 

to each category, the formulation of the new substance, and other use information. Mark (X) the "Confidential" Box next to any item you claim as 

confidential. 

a. (1) -Describe each intended category of use of the new chemical substance by function and application. 

(2) -Mark (X) this column if entry column (1) is confidential business information (CBI). 

(3) -Indicate your willingness to have the information provided in column (1) binding. 

(4) -Estimate the percent of total production for the first three years devoted to each category of use. 

(5) -Mark (X) this column if entry in column (4) is confidential business information (CBI). 

(6) -Estimate the percent of the new substance as formulated in mixtures, suspensions, emulsions, solutions, or gels as manufactured for 

commercial purposes at sites under your control associated with each category of use. 

(7) -Mark (X) this column if entry in column (6) is confidential business information (CBI). 

(8) -Indicate % of product volume expected for the listed "use" sectors. Mark more than one box if appropriate. Mark (X) to indicate your 

willingness to have the use type provided in (8) binding. 

(9) --Mark (X) this column if entry(ies) in column (8) is (are) confidential business information (CBI). 

Category of use (1) Binding Prod %in % of substance expected per use 

(by function and application i.e. a dispersive dye for CBI Option uction CBI Form- CBI (8) CBI 

finishing polyester fibers) Mark (X) % ulation s~ .. Con- Industrial Corn- Binding 

(2) (3) (4) (5) (6) (7) limited sumer• mercial Option (9) 

brightener for nickel electroplating XXX X XXX X XXX XXX XXX XXX X 

• If you have identified a "consumer'' use, please provide on a continuation sheet a detailed description of the use(s) of this chemical substance in 

consumer products. In addition include estimates of the concentration of the new chemical substance as expected in consumer products and describe 

the chemical reactions by which this substance loses its identity in the consumer product. 

Mark (X) this box if the data continues on the next page. D 

b. Generic use If you claim any category of use description in subsection 2a as confidential, enter a generic description of that category. 

description Read the Instruction Manual for examples of generic use descriptions. 

Enter Attachment filename for Part I, Section C, 2. b. I CBI D 

3. Hazard Information - Include in the notice a copy of reasonable facsimile of any hazard warning statement, label, material safety 

data sheet, or other information which will be provided to any person who is reasonably likely to be exposed to this substance Binding Option 

regarding protective equipment or practices for the safe handing, transport, use, or disposal of the new substance. List in part Ill Mark (X) 

hazard information you include. 

Mark (X) this box if you attach hazard information. [R] D 

EPA FORM 7710-25 (Rev. 6-09) Replaces previous editions of EPA Form 7710-25 

Page 10 

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lllllllllllllllllllllllllllllllllllllllllllllllllllllll 

Name 

Site address (number and 

street) 

City 

State 

c. Amount and Duration - Complete 1 or 2 as appropriate 

1. Batch 

2. Continuous 

d. Process description 

(1) the operation steps chemical 

pails, 55 gallon drum, rail car, tank truck, etc.). 

County 

ZIP code 

Hours/batch 

Hours/day 

SANITIZED SUBMISSION 

Batches/year 

Days/year 

Confidential 

D 

D 

D 

D 

D 

(2) Provide the identity, the approximate weight (by kg/day or kg/batch on a 100% new chemical substance basis), and entry point of all starting 

materials and feedstocks (including reactants, solvents, catalysts, etc.), and of all products, recycle streams, and wastes. Include cleaning 

chemicals (note frequency if not used daily or per batch.). 

(3) Identify by number the points of release, including small or intermittent releases, to the environment of the new chemical substance. If 

to two media at the same a second release number for the second 

EPA FORM 7710-25 (Rev. 6-09) Replaces previous editions of EPA Form 7710-25 

Page 11 

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PMN2011P8A PMN P 8 age a 

( Confidential 

Diagram of the major unit operation steps. D 

Enter Attachment filename for Part II, Section A, 1. d. I [ J 

EPA FORM 7710-25 (Rev. 6-09) Replaces previous editions of EPA Form 7710-25 

Page 12 

.. =•••""r•--r=oo=r ~ 

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PMN2011P9 PMN Page 9 

PartJI;;.. HUMAN EXPOSURE AND ENVIRONMENTAL-RELEASE;~ Continued : 

Section A--INDUSTRIAl!. SITES CONTROLLED BY THE SUBMITTER:;;;.;. Continued'· 

The information on pages 9 and 9a refer to consolidated chemical number(s): [ 1 0 2 [ ] 3 [ ] 4 [ 5 [ ] 6 

2. Occupational Exposure- You must make separate confidentiality claims for the description of worker activity, physical form of the new chemical 

substance, number of workers exposed, and duration of activity. Mark (X) the "Confidential" box next to any item you claim as confidential. 

(1) - Describe the activities (i.e. bag dumping, tote filling, unloading drums, sampling, cleaning, etc.) in which workers may be exposed to the 

substance. 

(2) - Mark (X) this column if entry in column (1) is confidential business information (CBI). 

(3) - Describe any protective equipment and engineering controls used to protect workers. 

(4) and (6)- Indicate your willingness to have the information provided in column (3) or (5) binding. 

(5) - Indicate the physical form(s) of the new chemical substance (e.g., solid: crystal, granule, powder, or dust) and % new chemical substance (if 

part of a mixture) at the time of exposure. 

(7) - Mark (X) this column if entries in columns (3) and (5) are confidential business information (CBI). 

(8) - Estimate the maximum number of workers involved in each activity for all sites combined. 

(9) - Mark (X) this column if entry in column (8) is confidential business information (CBI). 

( 1 0) and ( 11) - Estimate the maximum duration of the activity for any worker in hours per day and days per year. 

{12) - Mark (X) this column if entries in columns (10) and(11)are confidential business information (CBI). 

~,~111-I~H& ~Bf~-=::::o,h;~:,.~~;~i:-: .... 1 

. .,• !'"';S_J_::·~-:-j,,.t"'"L.,.~,•~;o;;i-E:""~--f--t-:;"'f .. ~·--.~"'·~--:--~--·~-; .. ·~-:-~-- ... -.. .,:-tu~-~--,-~-.;~-~·:'"111":""'1.-.:-i· 

Mark (X) this box if the data continues on the next page. J 

Enter Attachment filename for Part II, Section A on the bottom of page 9a. D 

EPA FORM 7710-25 (Rev. 6-09) Replaces previous editions of EPA Form 7710-25 

Page 13 
( 

' 

\'-_ 

SANITIZED SUBMISSION 

-You must amount of the new chemical 

substance released and other release and disposal information. (X) the box next to each item you claim as confidential. 

(1) -- Enter the number of each release point identified in the process description, part II, section A, subsection 1d(3). 

(2) - Estimate the amount of the new substance released (a) directly to the environment or (b) into control technology (in kg/day or kg/batch). 

(3)- Mark (X) this column if entries in columns (1) and (2) are confidential business information (CBI). 

(4) - Identify the media (stack air, fugitive air (optional-see Instruction Manual), surface water, on-site or off-site land or incineration, POTW, or 

other (specify)) to which the new substance will be released from that release point. 

(5) - a. Describe control technology, if any, and control efficiency that will be used to limit the release of the new substance to the environment. 

For releases disposed of on land, characterize the disposal method and state whether it is approved for disposal of RCRA hazardous waste. 

On a continuation sheet, for each site describe any additional disposal methods that will be used and whether the waste is subject to 

secondary or tertiary on-site treatment. b. Estimate the amount released to the environment after control technology (in kg/day). 

(6) - Mark (X) this column if entries in columns (4) and (5) are confidential business information (CBI). 

(7) - Identify the destination(s) of releases to water. Please supply NPDES (National Pollutant Discharge Elimination System) numbers for direct 

discharges or NPDES numbers of the POTW (Publicly Owned Treatment Works). Mark (X) if the POTW name or NPDES #is confidential 

D 

D 

business information 

Mark (X) this box if the data continues on the next page. 

POTW-provide 

name(s) 

Navigable waterway-

- provide name(s) 

D Other-Specify 

Enter Attachment filename for Part II, Section A. 

EPA FORM 7710-25 (Rev. 6-09) 

D 

D 

D 

D 

Replaces previous editions of EPA Form 7710-25 

Page 14 
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confidential. 

(1) - Diagram the major unit operation steps and chemical conversions, including interim storage and transport containers (specify- e.g. 5 gallon 

pails, 55 gallon drums, rail cars, tank trucks, etc). On the diagram, identify by letter and briefly describe each worker activity. 

(2) - Either in the diagram or in the text field 1(b) below, provide the identity, the approximate weight (by kg/day or kg/batch, on an 100% new 

chemical substance basis), and entry point of all feedstocks (including reactants, solvents and catalysts, etc) and all products, recycle 

streams, and wastes. Include cleaning chemicals (note frequency if not used daily or per batch). 

(3) - Either in the diagram or in the text field 1 (b) below, identify by number the points of release, including small or intermittent releases, to the 

environment of the new chemical substance. 

Confidential [g) 

1 (b). (Optional) This space is for a text description to clarify the diagram above. Confidential 

Enter Attachment filename for Part II, Section 8 on the bottom of page 10a. 

EPA FORM 7710-25 (Rev. 6-09) Replaces previous editions of EPA Form 7710-25 

Page 15 
~ 1111111111111111111111111111111111111111111111111111111111111111111111 SANITIZED SUBMISSION 

PMN2011 P10-1 

Continuation Sheet 

ID I P10SB1(a)(4)1 I Field I Part II, Section 8, 1(a)(4). Operation Site Locations 

XXX 

EPA FORM 7710-25 (Rev. 6-09) Replaces previous editions of EPA Form 7710-25 

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PMN2011 P1 OA PMNP 10a 

2. Worker Exposure/Environmental Release 

(1) - From the diagram above, provide the letter for each worker activity. Complete 2-8 for each worker activity described. 

(2) - Estimate the number of workers exposed for all sites combined. 

(4) - Estimate the typical duration of exposure per worker in (a) hours per day and (b) days per year. 

(6) - Describe physical form of exposure and % new chemical substance (if in mixture), and any protective equipment and engineering controls, if 

any, used to protect workers. 

(7) - Estimate the percent of the new substance as formulated when packaged or used as a final product. 

(9) - From the process diagram above, enter the number of each release point. Complete 9-13 for each release point identified. 

(10)- Estimate the amount of the new substance released (a) directly to the environment or (b) into control technology to the environment (in 

kg/day or kg/batch). 

( 12) - Describe media of release i.e. stack air, fugitive air (optional-see Instructions Manual), surface water, on-site or off-site land or incineration, 

P01W, or other (specify) and control technology, if any, that will be used to limit the release of the new substance to the environment. 

(14)- Identify byproducts which may result from the operation. 

(3), (5), (8), (11), (13) and (15)- Mark (X) this column if any of the proceeding entries are confidential business information (CBI). 

XXX XXX X XXX XXX X XXX XXX XXX X 

XXX XXX X XXX XXX X XXX XXX XXX X 

XXX XXX XXX X XXX X 

XXX XXX XXX X XXX X 

EPA FORM 7710-25 (Rev. 6-09) Replaces previous editions of EPA Form 7710-25 

Page 17 
SANITIZED SUBMISSION 

PMN2011P11 PMN Page 11 

OPTIONAL POLLUTION PREVENTION INFORMATION 

To claim information in the following section as confidential, bracket (e.g.{}) the specific information that you claim as confidential. 

In this section you may provide information not reported elsewhere in this form regarding your efforts to reduce or minimize potential risks 

associated with activities surrounding manufacturing, processing, use and disposal of the PMN substance. Please include new information 

pertinent to pollution prevention, including source reduction, recycling activities and safer processes or products available due to the new chemical 

substance. Source reduction includes the reduction in the amount or toxicity of chemical wastes by technological modification, process and 

procedure modification, product reformulation, and/or raw materials substitution. Recycling refers to the reclamation of useful chemical components 

from wastes that would otherwise be treated or released as air emissions or water discharges, or land disposal. Quantitative or qualitative 

descriptions of pollution prevention, source reduction and recycling should emphasize potential risk reduction in addition to compliance with existing 

regulatory requirements. The EPA is interested in the information to assess overall net reductions in toxicity or environmental releases and 

exposures, not the shifting of risks to other media (e.g., air to water) or nonenvironmental areas (e.g., occupational or consumer exposure). To the 

extent known, information about the technology being replaced will assist EPA in its relative risk determination. In addition, information on the 

relative cost or performance characteristics of the PMN substance to potential alternatives may be provided. 

Describe the expected net benefits, such as 

(1) an overall reduction in risk to human health or the environment; 

(2) a reduction in the generation of waste materials through recycling, source reduction or other means; 

(3) a reduction in the use of hazardous starting materials, reagents, or feedstocks; 

(4) a reduction in potential toxicity, human exposure and/or environmental release; or 

(5) the extent to which the new chemical substance may be a substitute for an existing substance that poses a greater overall risk to human 

health or the environment. 

Information provided In this section will be taken Into consideration during the review of this substance. See PMN Instructions Manual 

and Pollution Prevention Guidance manual for guidance and examples. 

This PMN substance is used in formulating a brightener for semibright nickel plating process. The PMN substance will replace chloralhydrate. Its 

function is to brighten the deposit and stabilize the electropotential of the deposit. 

Enter Attachment filename for Pollution Prevention Page 11. I D 

EPA FORM 7710-25 (Rev. 6-09) Replaces previous editions of EPA Form 7710-25 

Page 18 
111111111111111111111111111 11111111111111111111111 SANITIZED SUBMISSION PMN 201 1 p 12 PMNP age 12 

Part Ill -- LIST OF ATTACHMENTS 

Attach continuation sheets for sections of the form, test data and other data (including physical/chemical properties and 

structure/activity information), and optional information after this page. Clearly identify the attachment and the section of the form 

to which it relates, if appropriate. Number consecutively the pages of any paper attachments. In the Number of Pages column 

below, enter the inclusive page numbers of each attachment for paper submissions or enter the total number of pages for each 

attachment for electronic submissions. Electronic attachments can be identified by filename. 

Mark (X) the "Confidential" box next to any attachment name or filename you claim as confidential. Read the Instructions Manual 

for guidance on how to claim any information in an attachment as confidential. You must include with the sanitized copy of the 

notice .form a sanitized version of any attachment in which you claim information as confidential. 

Number Associated 

# Attachment Name Attachment Filename of Pages PMN Section CBI 

Number 

001 CASinventory Expert Services 2 Pt.l, Sec.B, 1c. I Pt.l, Sec.B, 1e. 

002 Part II - Section 8(1) Continuation Sheet 2 Pt.2, Sec.B, 1a.l Pt.2, Sec.B, End 

003 MSDS 5 

004 Assessment of Toxicity and Chemical 17 

Characteristics 

005 Assessment of Toxicity and Chemical 18 

Characteristics 

006 Assessment of Toxicity and Chemical 18 

Characteristics 

Mark (X) this box if the data continues on the next page. D 

EPA FORM 7710-25 (Rev. 6-09) Replaces previous editions of EPA Form 7710-25 

Page 19 
( 

I 

\ 

SANITIZED SUBMISSION 

6 

To assist EPA's review of physical and chemical properties data, please complete the following worksheet for data you provide and include it in the 

notice. Identify the property measured, the value of the property, the units in which the property is measured (as necessary), and whether or not the 

property is claimed as confidential. Give the attachment number (found on page 12) in column (b). The physical state of the neat substance should be 

provided. These measured properties should be for the neat (100% pure) chemical substance. Properties that are measured for mixtures or 

formulations should be so noted (% PMN substance in_). You are not required to submit this worksheet; however, EPA strongly recommends that 

you do so, as it will simplify the review and ensure that confidential information is properly protected. You should submit this worksheet as a 

supplement to your submission of test data. This worksheet is not a substitute for submission of test data. 

D XXX X 

D Torr 

D XXX g/cm3 

D g/L 

D g/L 

D ·c 

D •c 

D 

D 

D 

D 

D 

D 

D 

Flammability D 

Explodability· D 

Adsorption I Coefficient' D 

Particle Size Distribution D 

Other- Specify · D 

Page 20 
ATTACHMENT HEADER SHEET 

Attachment Number 001 

Attachment Name 

CASinventory Expert Services 

Associated PMN Section Number 

Pt.l, Sec.B, 1c.j Pt.l, Sec.B, 1e. 

Does not contain CBI 

Report Number 

PROC110207243555108 
( Inventory Expert Service 

A division of the American Chemical Society Phone: 800-631-1884, 614-447-3870 

Fax: 614-447-3747 

E-mail: answers@cas.org 

Web: www.cas.org/products/clientl 

INVENTORY EXPERT SERVICE REPORT 

IES-ORDER NUMBER: c 

REGISTRY NUMBER: [ 

CA INDEX NAME 

l 

J 

[ J 

CAS 

Please print the above CA Index Name on the appropriate page of your PMN. 

0 If this box is checked, CAS has made correction(s) marked in red to 

your IES order. Please make the same correction(&) to your PMN before 

submitting it to the EPA. 

2540 Olentangy River Road P.O. Box 3343 Columbus. Ohio 43210-0334 USA 

-r "1'1TT • -; 

-r--
' \ 

-

., 1 

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ATTACHMENT HEADER SHEET 

Attachment Number 002 

Attachment Name 

Part II- Section 8(1) Continuation Sheet 

Associated PMN Section Number 

Pt.2, Sec.B, 1a. I Pt.2, Sec.B, End 

Does not contain CBI 

Report Number 

PROC110207243555108 
.I ''\ 

--1 ;/ 

• 

1 

1 

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1 

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Part II Section B(l) Continuation Sheet Electroplatin& Facility j - 

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ATTACHMENT HEADER SHEET 

Attachment Number 003 

Attachment Name 

MSDS 

Associated PMN Section Number 

N/A 

Does not contain CBI 

Report Number 

PROC110207243555108 
Safety data sheet Page I of5 

Product:( J Version 02 

1. Substance/preparation and company name 

[: . J 

(additive for the electroplating industry in nickel electrolytes) 

For industrial use only. 

c 

Company: 

Bergische Elektrochemie GmbH 

Millrather Strasse 36 

42781 Haan 

Federal Republic of Germany 

Tel.: +49 2104 60101 Fax.: +49 2104 60572 

J 

Date revised: 12.01.2011 

EMERGENCY HOTLINE EUROPE: POISON INFORMATION CENTER MAINZ: +49·6131·19240 

CHEMTREC EMERGENCY PHONE NUMBER, USA : 202-483-7616 0800-424-9300 

2. Possible hazards** 

Toxic by inhalation and if swallowed. 

Harmful by inhalation, in contact with skin and if swallowed. 

Harmful: danger of serious damage to health by prolonged exposure if swallowed. 

May cause sensitisation by skin contact. 

3. Composition/Information on ingredients** 

Hazardous Ingredients 

Trade Secret 60-80% 

110-65-6 1,4-BUTYNEDIOL 20-30% 

4. First aid measures 

General advice: 

Remove contaminated clothing. Note precautions for self-protection of first-aider. 

If inhaled: 

If difficulties occur after vapour/aerosol has been inhaled: fresh air, summon physician. 

On skin contact: 

Wash with soap and cold water. Consult a physician if skin irritation persists. 

On contact with eyes: 

Check for contact lenses and remove. Wash affected eyes for at least 15 minutes under running water 

with eyelids held open. Seek Medical advise. 

On ingestion: 

Rinse mouth immediately and then drink plenty of water, do not induce vomiting, 

summon medical aid. 

Note to physician: 

·-r I ,jim~-~~-
' \ 

Safety data sheet Page2of5 

Product[ ] Version02 

Treat according to symptoms (decontamination, vital functions), 

no known specific antidote. 

5. Fire fighting measures 

Suitable extinguishing media: 

Water, dry extinguishing media, foam, carbon dioxide (C02) 

Extinguishing media that must not be used: 

For safety reasons do not use full water jet. 

Specific Hazards: 

Formation of hazardous fumes. Hazardous combustion products: (CO, C02). 

Special protective equipment: 

Date revised: 12.01.20 II 

Fire fighters should be equipped with self-contained breathing apparatus to prevent contact with 

reaction products. 

Further information: 

Contaminated extinguishing water must be disposed of in accordance with local 

regulations. 

6. Accidental release measures 

Personal precautions: 

Avoid contact with skin, eyes and clothing. Change soaked clothing immediately. 

Environmental precautions: 

Do not discharge product into surface water, drains and ground water without pre-treatment 

(biological treatment plant) 

Methods for cleaning up: 

Contain with adsorbent material and dispose. 

7. Handling and storage 

Handling: 

Use good industrial practices when handling. Avoid skin, eye and clothing contact. Do not inhale. Do 

not taste or swallow. Ensure thorough ventilation of stores and work areas. Avoid formation of 

aerosols. 

Protection against fire and explosion: 

Sources of ignition should be kept clear. 

Storage: 

Keep tightly sealed. Store cool. 

Protect against temperatures below -10 ac and of above 40 a c. Do not store together with strong 

acids strong alkaline or with strong oxidizing agents. 
Safety data sheet Page 3 of 5 

Product( l Version 02 Date revised: 12.01.2011 

----·---------·--------------------------------

8. Exposure controls and personal protection 

Exposure Guidelines: 

There are no OSHA or ACGIH exposure guidelines available for component(s) in this product 

Personal protective equipment: 

Respiratory protection 

Breathing apparatus in the event of high concentrations. Use NIOSH approved respirator as needed 

to mitigate exposure. 

Hand protection: 

For splash contact 

Material: Butyl rubber 

For continuous exposure. 

Material: Butyl rubber 

0. 7 mm thickness 

0,7 mm thickness 

Breakthrough time: >240 min 

Breakthrough time: >480 Min 

Breakthrough time of Glove material: The stated breakthrough time has to be inquired from the Glove 

manufacturer/supplier and has to be followed strictly. 

Protective gloves need to be replaced immediately after first signs of wear and tear are noticed. 

Eye protection: 

Side-shield safety glasses. 

General safety and hygiene measures: 

The usual precautions for the handling with chemicals must be observed. Wash hands before breaks 

and after work. Separate storage of work clothes. Wash contaminated clothing prior to re-use. 

9. Physical and chemical properties 

Form: liquid 

Colour: brown to reddish 

Odour: product specific 

Change in physical state 

Boiling point/boiling range: 

Solidification temperature: 

Flash point: 

Combustibility: 

Ignition temperature: 

Explosion hazard: 

Vapour pressure: 

Density: 

Solubility in water: 

PH value: 

approx. 

approx. 

approx. 

not flammable 

NA 

185'C 

-20'C 

N.A. 

no explosion hazard 

< 1 00 mbar (20'C) 

1.42-1.48 g cm3 (23'C) 

miscible 

4 to 7 (undiluted) 

(DIN 51758) 

(DIN 51794) 

(DIN 51757) 

(DIN 19268) 

-' ' 
( 

\ 

/ 

\_ 

Safety data sheet Page4of5 

Product:[ '" ·"l vern;on 02 Date revised: 12.01.2011 

Viscosity N.A. (20 'C) (DIN 53211) 

10. Stability and reactivity: 

Substances to avoid: 

Strong bases, acids, heavy metal salts, e.g. Hg, powerful oxidising agents. 

Hazardous reaction products: 

During incineration: formation of hydrochloric acid fumes and CO and C02 gas 

Hazardous decomposition products: 

None provided product is correctly processed. 

Carbon monoxide, Carbon dioxide, Hydrochloric acid fumes 

11. Toxicological information** 

Acute toxicity 

LD50 value that is relevant for classification: 

110-65-6 Butynediol (as 1 00%) 

LD50/oral/rat 1 OOmglkg 

LC50/inhalation/rat 0,69 mg/1 4h 

LD50/dermaVrat 659 mg/kg 

Lit. 

OECD403 

OECD402 

Acute inhalation hazard (rat; test results depending on toxicity and volatility): 

No data avialable. 

Primary skin irritation/rabbit/OECD 404: 

Primary mucous membrane irritation/rabbits' eyes/OECD 405 : 

12. Ecological information 

Elimination information: 

Test method: OECD 3028/ ISO 9888/ EEC 88/302, C 

Method of analysis: DOC reduction 

Degree of elimination: 30-40% 

Evaluation: moderate to eliminate 

Behaviour and environmental fate 

slightly irritant 

irritant 

Inhibition of degradation activity in activated sludge is not to be anticipated during correct introduction 

of low concentrations. 

Ecotoxic effects 

Toxicity to bacteria: EC10 (17 Hrs.): No data available 

Toxicity to fish: LC50 (96Hrs.): No data available 

Further ecological information 

No data available 

13. Disposal considerations 
Safety data sheet Page 5 of5 

Product:[ 'J Version 02 

Product: 

Must be disposed of by special means, e.g. suitable incineration, 

in accordance with local regulations. 

Contaminated packaging: 

Uncontaminated packs can be reused. 

Date revised: 12.01.20 II 

Pack that cannot be cleaned should be disposed of in the same manner as the contents. 

14. Transport Information** 

Land transport 

DOT Class: 6.1 Subrisk: none 

UN-No.: 2810 PG: Ill 

Proper technical name: TOXIC LIQUID, ORGANIC, N.O.S. (contains: BUTYNEDIOL) 

Sea transport 

IMDG/GGVSee Class: 6.1 Subrisk: none 

UN-No.: 2810 PG: Ill 

EMS: F-A,S-A Marine pollutant: No 

Proper technical name: TOXIC LIQUID, ORGANIC, N.O.S. (contains: BUTYNEDIOL) 

Air transport 

ICAO/IATA Class: 6.1 Subrisk: none 

UN-No.: 2810 PG: Ill 

Proper technical name: TOXIC LIQUID, ORGANIC, N.O.S. (contains: BUTYNEDIOL) 

Other information 

None 

15. Regulatory information** 

TSCA 8(b) Inventory Status: 

Not all components comprising this product are listed on TSCA. 

16. Other information** 

The information contained herein is based on the present state of our knowledge and does not 

therefore guarantee certain properties. Recipients of our product must take responsibility for 

observing existing laws and regulations. 

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

"T I ill 
\ ATTACHMENT HEADER SHEET 

Attachment Number 004 

Attachment Name 

Assessment of Toxicity and Chemical Characteristics 

Associated PMN Section Number 

N/A 

Does not contain CBI 

Report Number 

PROC 110207243555108 
( 

Intertek Expert Services 

Toxicology and Environmental Assessments Group 

Summary 

The TOXTREE model1 indicates the material has no structural alerts for mutagenicity and is 

unlikely to be a genotoxic or non-genotoxic carcinogen. The detailed output of the model is 

provided in Table 1. Based on chemical analogs (National Library of Medicine) this compound is 

considered moderately to slightly toxic in acute exposures. 

The environmental chemistry and ecotoxicity of the compound was estimated with the EPA 

EPIWIN model and the output of the model is provided in Table 2. 

The compound is predicted to have moderate water solubility (478 mg/l). The material has a 

calculated octanol-water partition coefficient (Log Kow) of 1.08 and consequently it has a low 

potential to bioaccumulate (calculated BCF = 0.381). 

The ECOSAR submodel predicted the material will have low toxicity to aquatic organisms. The 

compound is predicted to biodegrade slowly. Primary biodegradation is estimated to require 

weeks or months. 

Based on model result[ 

considered a PBT2 subJ.ance. 

1 R. Benigni, R., C. Bossa, N. Jeliazkova, T. Netzeva and A. Worth. The Benigni I Bossa rulebase for mutagenicity and 

carcinogenicity- a module of Toxtree. 2008. 68 pp. EUR- Scientific and Technical Research series- ISSN 1018-5593. 2 PBT = Persistence Bioaccumulative Toxic 
( 

\ 

[ntertek Expert Services 

Toxicology and Environmental Assessments Group 

• Physical I Chemical Properties 

Melting Point : 

Boiling Point : 

Water Solubility: 

Log Kow: 

380.50 

153.47 

478.1 

1.08 

SAR Modeling3 

• Biodegradation: Linear and non-linear models predict slow biodegradation. MITIIinear and 

non-linear models also predict slow biodegradation. The results of all the models are 

consistent and favor slow biodegradation. 

• Aquatic Toxicity: 

LCso (96-hr fish) = 

LCso (48-hr daphnid) = 

ECso (96-hr green algae) = 

1752.98 mg/ L * 

905.36 mg/ l * 

267.88 mg/ L 

Neutral Organics Model 

Neutral Organics Model 

Neutral Organics Model 

* - asterick designates, chemical may not be soluble enough to 

measure this predicted effect. 

• Bioconcentration (BCF): log BCF = 0.381 (low potential to bioaccumulate) 

3 EPA EPIWIN Model, Syracuse Research Corporation 

) 

I ) 
fntertek Expert Services 

Toxicology and Environmental Assessments Group 

\ 

Table 1. TOXTREE Model Output fo( ] 

QSA l.Acyl halides No 

QSA2.Alkyj_(C<5) or benzyl ester of sulphonic or phosphonic acid No 

QSA3.N-methylol derivatives No 

QSA4.Monohaloalkene No 

QSA5.S or N mustard No 

QSA6.Propiolactones and propiosultones No 

QSA 7 .Epoxides and aziridines No 

QSA8.Aliphatic halogens No 

QSA9.Alkyl nitrite No 

QSAll.Sifili'le aldehyde No 

_QSA12.Quinones No 

QSA13.Hydrazine No 

QSA14.Aliphatic azo and azoxy No 

QSA15.1socyanate and isothiocyanate grou{)s No 

QSA16.Alkyl carbamate and thiocarbamate No 

QSA18.Polycyclic Aromatic Hydrocarbons No 

QSA19.Heterocyclic Polycyclic Aromatic Hydrocarbons No 

QSA21.Alkyl and aryl N-nitroso groups No 

QSA22.Azide and triazene groups No 

QSA23.Aliphatic N-nitro No 

QSA24.a.,6 unsaturated alkoxy No 

QSA25.Aromatic nitroso group No 

QSA26.Aromatic ring N-oxide No ) QSA27 .Nitro aromatic No 

QSA28.Primary aromatic amine, hydroxyl amine and its derived esters (with restrictions) No 

QSA28bis.Aromatic mono- and dialkylamine No 

QSA28ter.Aromatic N-acyl amine No 

QSA29.Aromatic diazo No 

QSA30.Coumarins and Furocoumarins No 

QAny alert?.At least one alert tired? No alerts for carcinogenic 

activity 

QSA17.Thiocarbonyl (Nongenotoxic carcinogens) No 

QSA20.(Poly) Halogenated Cycloalkanes (Nongenotoxic carcinogens) No 

QSA3la.Halogenated benzene (Nongenotoxic carcinogens) No 

QSA3lb.Halogenated PAH (naphthalenes, biphenyls, diphenyls) (Nongenotoxic No 

carcinogens) 

_QSA31 c.Halogenated dibenzodioxins (Nongenotoxic carcinogens) No 

QNongenotoxic alert?.At least one alert for nongenotoxic carcinogenicity fired? No alerts for carcinogenic 

activity 

QQSAR13 applicable?.a.,f3 unsaturated aldehyde No 

QSAlO.a.,f3 unsaturated carbonyls No 

QaN=Na.Aromatic diazo No 

Qar-N=CH2.Derived aromatic amines No 

QQ_SAR6,8 applicable?.Aromatic amine without sulfonic group on the same ring No 

) 
~-~ .lL_:.. l ~~-l~~-~ u .. 

Intertek Expert Services 

( Toxicology and Environmental Assessments Group 

( 

c 
( 

Intertek Expert Services 

Toxicology and Environmental Assessments Group 

MPBPVP (v1.43) Program Results: 

Experimental Database Structure Match: no data 

~ ------------------------ SUMMARY MPBVP 

J 

v1.43 

Boiling Point: 380.50 deg C (Adapted Stein and Brown Method) 

Melting Point: 

Melting Point: 

Mean Melt Pt 

Selected MP: 

333.32 deg 

108.51 deg 

220.92 deg 

153.47 deg C 

C (Adapted Joback Method) 

C (Gold and Ogle Method) 

C (Joback; Gold,Ogle Methods) (Weighted Value) 

Vapor Pressure Estimations (25 deg C): 

(Using BP: 380.50 deg C (estimated)) 

(Using MP: 153.47 deg C (estimated)) 

VP: 3.28E-009 mm Hg (Antoine Method) 

4.37E-007 Pa (Antoine Method) 

VP: 1.49E-008 mm Hg (Modified Grain Method) 

1.99E-006 Pa (Modified Grain Method) 

VP: 2.67E-006 mm Hg (Mackay Method) 

0.000357 Pa (Mackay Method) 

Selected VP: 1.49E-008 mm Hg (Modified Grain Method) 

1.99E-006 Pa (Modified Grain Method) 

Subcooled liquid VP: 3.05E-007 mm Hg (25 deg C, Mod-Grain method) 

4.06E-005 Pa (25 deg C, Mod-Grain method) 

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

TYPE I NUM I BOIL DESCRIPTION COEFF VALUE 

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

Group 2 I -CH2- 24.22 48.44 

Group 2 I >CH- 11.86 23.72 

Group 2 I >C< 4.50 9.00 

Group 2 I #C- 32.99 65.98 

Group 2 I -0- (nonring) 25.16 50.32 

Group 2 I -OH (secondary) 80.63 161.26 

Group 6 I -Cl (tertiary) 36.23 I 217.38 

* I I Equation Constant I 198.18 

=============+====================+==========+========= 

RESULT-uncorrl BOILING POINT in deg Kelvin I 774.28 

RESULT- corr I BOILING POINT in deg Kelvin I 653.66 

I BOILING POINT in deg C I 380.50 

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

TYPE I NUM I MELT DESCRIPTION COEFF VALUE 

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

Group 2 -CH2- 11.27 22.54 

Group 2 >CH- 12.64 25.28 

Group 2 >C< 46.43 92.86 

Group 2 #C- 64.32 128.64 

Group 2 -0- (nonring) 22.23 44.46 

Group 2 -OH (secondary) 44.45 88.90 

Group 6 -Cl (tertiary) 13.55 I 81.30 

" 1 I Equation Constant I 122. 50 

=============+====================+==========+========= 

) 

) 
( 

lntertek Expert Services 

Toxicology and Environmental Assessments Group 

RESULT I MELTING POINT in deg Kelvin 606.48 

MELTING POINT in deg C I 333.32 

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

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

Water Sol: 478.1 mg/L 

WSKOW v1.41 J 

Results 

Log Kow (estimated) 1.08 

Log Kow (experimental): not available from database 

Log Kow used by Water solubility estimates: 1.08 

Equation Used to Make Water,Sol estimate: 

LogS (mol/L) = 0.796- 0.854 log Kow- 0.00728 MW +Correction 

(used when Melting Point NOT available) 

Correction(s): Value 

No Applicable Correction Factors 

Log Water Solubility (in moles/L) -2.901 

Water Solubility at 25 deg C (mg/L): 478.1 

WATERNT Program (v1.01) Results: 

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

Water Sol (v1.01 est): 1.1435e+005 mg/L 

[ . . 1 

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

TYPE I NUM I WATER SOLUBILITY FRAGMENT DESCRIPTION COEFF VALUE 

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

Frag 2 -CH2- [aliphatic carbon] 1-0.5370 -1.0740 

Frag 2 -CH [aliphatic carbon] 1-0.5285 -1.0570 

Frag 2 C [aliphatic carbon - No H, not tert] l-1.0516 -2.1033 

Frag 2 oC [acetylenic carbon] 1-0.2829 -0.5659 

Frag 2 -OH [hydroxy, aliphatic attach] I 1.6012 3.2025 

Frag 2 -0- [oxygen, aliphatic attach] I 1.2746 2.5492 

Frag 6 -CL [chlorine, aliphatic attach] 1-0.2872 -1.7232 

Const Equation Constant I 0.2492 

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

Log Water Sol (moles/L) at 25 dec C -0.5225 

Water Solubility (mg/1) at 25 dec C =1.1435e+005 

ECOSAR Program (vl.OO) Results: 

============================== 
( 

fntertek Expert Services 

Toxicology and Environmental Assessments Group 

CHEM 

CAS Num: 

ChemiDl: 

ChemiD2: 

ChemiD3: 

, ( 1 l~f , I \; 

ECOSAR vl.OO Class(es) Found 

Propargyl Ethers 

Halo Ethers 

Halo Alcohols 

Predicted 

J 

ECOSAR Class Organism Duration End Pt mg/1 (ppm) 

==~======================== ================== ======== ====== ========== Propargyl Ethers 

Propargyl Ethers 

Propargyl Ethers 

Propargyl Ethers 

Propargyl Ethers 

Propargyl Ethers 

Halo Ethers 

Halo Ethers 

Halo Ethers 

Halo Ethers 

Halo Alcohols 

Halo Alcohols 

Halo Alcohols 

Halo Alcohols 

Fish 

Daphnid 

Green Algae 

Fish 

Daphnid 

Green Algae 

Fish 

Daphnid 

Fish 

Daphnid 

Fish 

Green Algae 

Fish 

Green Algae 

96-hr 

48-hr 

96-hr 

21-day 

96-hr 

48-hr 

96-hr 

96-hr 

LC50 

LC50 

EC50 

ChV 

ChV 

ChV 

LC50 

LC50 

ChV 

ChV 

LC50 

EC50 

ChV 

ChV 

238.120 

3371.433 * 

575.424 * 

16.910 

3.226 

180.835 

364.398 

82.997 

24.342 

6.649 

173.088 

0.164 

30.870 

0.088 

=========================== ====== ========== Neutral Organic SAR 

(Baseline Toxicity) 

Green Algae 

Fish 

Daphnid 

Green Algae 

Fish 

Daphnid 

96-hr EC50 

ChV 

ChV 

ChV 

96-hr 

48-hr 

267.877 

169.819 

71.098 

81.995 

Note: * = asterisk designates: Chemical may not be soluble 

enough to measure this predicted effect. 

LC50 1752.988 

LC50 905.347 

Note: ! = exclamation designates: The toxicity value was determined from 

a predicted SAR using established acute-to-chronic ratios and ECOSAR 

regression techniques which are documented in the supporting Technical Reference Manual. When possible, this toxicity value should be 

considered in a weight of evidence approach. 

Propargyl Ethers: 

For Fish and Daphnid Acute Toxicity Values: If the log Kow of the chemical is greater than 5.0, or if the compound is solid and the LCSO exceeds the 

water solubility by lOX, no effects at saturation are predicted for these 

endpoints. 

* 

* 
/ 

I 

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Toxicology and Environmental Assessments Group 

For Green Algae Acute Toxicity Values: If the log Kow of the chemical is 

greater than 6.4, or if the compound is solid and the EC50 exceeds the water 

solubility by lOX, no effects at saturation are predicted for these endpoints. 

For All Chronic Toxicity Values: If the log Kow of the chemical is greater 

than 8.0, or if the compound is solid and the ChV exceeds the water solubility 

by lOX, no effects at saturation are predicted for these endpoints. 

ECOSAR vl.OO SAR Limitations: 

Maximum LogKow: 5.0 (LC50) 

Maximum LogKow: 6.4 (EC50) 

Maximum LogKow: 8.0 (ChV) 

Maximum Mol Wt: 1000 

Halo Ethers 

For Fish and Daphnid Acute Toxicity Values: If the log Kow of the chemical 

is greater than 5.0, or if the compound is solid and the LC50 exceeds the 

water solubility by lOX, no effects at saturation are predicted for these 

endpoints. 

For Green Algae Acute Toxicity Values: If the log Kow of the chemical is 

greater than 6.4, or if the compound is solid and the EC50 exceeds the water 

solubility by lOX, no effects at saturation are predicted for these endpoints. 

For All Chronic Toxicity Values: If the log Kow of the chemical is greater 

than 8.0, or if the compound is solid and the ChV exceeds the water solubility 

by lOX, no effects at saturation are predicted for these endpoints. 

ECOSAR vl.OO SAR Limitations: 

Maximum LogKow: 5.0 (LC50) 

Maximum LogKow: 6.4 (EC50) 

Maximum LogKow: 8.0 (ChV) 

Maximum Mol Wt: 1000 

Halo Alcohols : 

For Fish and Daphnid Acute Toxicity Values: If the log Kow of the chemical 

is greater than 5.0, or if the compound is solid and the LC50 exceeds the 

water solubility by lOX, no effects at saturation are predicted for these 

endpoints. 

For Green Algae Acute Toxicity Values: If the log Kow of the chemical is 

greater than 6.4, or if the compound is solid and the EC50 exceeds the water 

solubility by lOX, no effects at saturation are predicted for these endpoints. 

For All Chronic Toxicity Values: If the log Kow of the chemical is greater 

than 8.0, or if the compound is solid and the ChV exceeds the water solubility 

by lOX, no effects at saturation are predicted for these endpoints. 

ECOSAR vl.OO SAR Limitations: 

Maximum LogKow: 5.0 (LC50) 

Maximum LogKow: 6.4 (EC50) 

Maximum LogKow: 8.0 (ChV) 

Maximum Mol Wt: 1000 

Baseline Toxicity SAR Limitations: 
----~__j_ -1. JJ ; 

--~-~~--.-._ ... ,.~-·~---~ 

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l-

!ntertek Expert Services 

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Maximum LogKow: 5.0 (Fish 96-hr LCSO; 

Maximum LogKow: 6.4 (Green Algae ECSO) 

Maximum LogKow: 8.0 (ChV) 

Maximum Mol Wt: 1000 

HENRYWIN (v3.20) Program Results: 

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

For Henry LC Comparison Purposes: 

Exper Database: none available 

User-Entered Henry LC: not entered 

Daphnid LCSO) 

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]: 

HLC: 1.562E-Oll atm-m3/mole (1.583E-006 Pa-m3/mole) 

VP: 1.49E-008 mm Hg (source: MPBPVP) 

WS: 478 mg/L (source: WSKOWWIN) 

I 

/ 

~,, 
lntertek Expert Services 

Toxicology and Environmental Assessments Group 

Log Octanol-Air (KOAWIN vl.lO) Results: 

Log Koa: 13 . 6 4 7 

] 

KOAWIN vl.lO Results --------------------------

Log Koa (octanol/air) estimate: 13.647 

Koa (octanol/air) estimate: 4.436e+013 

Using: 

Log Kow: 

HenryLC: 

Log Kaw: 

LogKow 

LogKow 

Henry LC: 

1.08 (KowWin est) 

6.63e-015 atm-m3/mole (HenryWin est) 

-12.567 (air/water part.coef.) 

(exp database) 

1.08 (KowWin estimate) 

--- atm-m3/mole(exp database) 

Henry LC: 6.63e-015 atm-m3/mole (HenryWin bond estimate) 

Log Koa (octanol/air) estimate: 13.647 (from KowWin/HenryWin) 

BIOWIN (v4.10) Program Results: 

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

Biowinl 

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

(Linear Model Prediction) 

BIOWIN v4.10 

Does 

Results 

Not Biodegrade 

---~--------------------- Fast 

Biowin2 (Non-Linear Model Prediction): Does Not Biodegrade Fast 

Biowin3 (Ultimate Biodegradation Timeframe): Recalcitrant 

Biowin4 (Primary Biodegradation Timeframe): Weeks-Months 

Biowin5 (MITI Linear Model Prediction) Does Not Biodegrade Fast 

Biowin6 (MITI Non-Linear Model Prediction) : Does Not Biodegrade Fast 

Biowin7 (Anaerobic Model Prediction): Does Not Biodegrade Fast 

Ready Biodegradability Prediction: NO 

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

TYPE I NUM I Biowinl FRAGMENT DESCRIPTION COEFF VALUE 

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

Frag 2 Aliphatic alcohol [-OH] 0.1587 0.3175 

Frag 6 Aliphatic chloride [-CL] -0.1114 -0.6683 

Frag 2 Carbon with 4 single bonds & no hydrogens -0.1839 -0.3679 

Frag I 2 Aliphatic ether [C-0-C] -0.3474 -0.6947 

MolWtl * Molecular Weight Parameter -0.1813 

Constl * Equation Constant 0.7475 

============+============================================+=========+========= 

RESULT Biowinl (Linear Biodeg Probability) I -0.8472 

============+============================================+=========+========= 

------+-----+------------~-----------------------~-------+---------+---------

TYPE I NUM I Biowin2 FRAGMENT DESCRIPTION COEFF VALUE 
Intertek Expert Services 

Toxicology and Environmental Assessments Group 

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

Frag 2 Aliphatic alcohol [-OH] 1.1178 I 2.2356 

Frag 6 Aliphatic chloride [-CL] -1.8528 1-11.1168 

Frag 2 Carbon with 4 single bonds & no hydrogens -1.7232 I -3.4464 

Frag I 2 Aliphatic ether [C-0-C] -3.4294 I -6.8588 

MolWtl * Molecular Weight Parameter I -5.4083 

============+============================================+=========+========= 

RESULT Biowin2 (Non-Linear Biodeg Probability) 0.0000 

============+============================================+=========+========= 

A Probability Greater Than or Equal to 0.5 indicates --> Biodegrades Fast 

A Probability Less Than 0.5 indicates --> Does NOT Biodegrade Fast 

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

TYPE I NUM I Biowin3 FRAGMENT DESCRIPTION COEFF VALUE 

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

Frag 2 Aliphatic alcohol [-OH] I 0.1600 0.3199 

Frag 6 Aliphatic chloride [-CL] I -0.1732 -1.0391 

Frag 2 Carbon with 4 single bonds & no hydrogens I -0.2121 -0.4242 

Frag I 2 Aliphatic ether [C-0-C] I -0.0087 -0.0173 

MolWtl * Molecular Weight Parameter I -0.8417 

Constl * Equation Constant I 3.1992 

============+============================================+=========+========= 

RESULT Biowin3 (Survey Model - Ultimate Biodeg) 1.1968 

============+============================================+=========+========= 

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

TYPE I NUM I Biowin4 FRAGMENT DESCRIPTION COEFF VALUE 

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

Frag I 2 I Aliphatic alcohol [-OH] I 0.1294 0.2589 

Frag I 6 I Aliphatic chloride [-CL] I -0.1006 -0.6037 

Frag I 2 I Carbon with 4 single bonds & no hydrogens I -0.1534 -0.3069 

Frag I 2 I Aliphatic ether [C-0-C] I -0.0097 -0.0195 

MolWtl * I Molecular Weight Parameter I -0.5495 

Constl * I Equation Constant I 3.8477 

============+============================================+=========+========= 

RESULT Biowin4 (Survey Model - Primary Biodeg) I 2.6271 

============+============================================+=========+========= 

Result Classification: 5.00 -> hours 

(Primary & Ultimate) 2.00 -> months 

4.00 -> days 

1. 00 -> longer 

3.00 -> weeks 

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

TYPE I NUM I Biowin5 FRAGMENT DESCRIPTION COEFF VALUE 

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

Frag 2 Aliphatic alcohol [-OH] 0.1611 0.3223 

Frag 6 Aliphatic chloride [-CL] 0.0011 0.0065 

Frag 2 Carbon with 4 single bonds & no hydrogens 0.0676 0.1352 

Frag 2 Aliphatic ether [C-0-C] 0.0015 0.0029 

Frag 2 -CH2- [linear] 0.0494 0.0988 

Frag 2 -CH- [linear] -0.0507 -0.1013 

MolWtl * Molecular Weight Parameter -1.1331 

Constl * Equation Constant 0.7121 

============+============================================+=========+========= 

RESULT Biowin5 (MITI Linear Biodeg Probability) 0.0435 

============+============================================+=========+========= 

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

TYPE I NUM I Biowin6 FRAGMENT DESCRIPTION COEFF VALUE 

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

Frag 1 2 Aliphatic alcohol [-OH] 1.0041 1 2.0083 
[ 

r 

fntertek Expert Services 

Toxicology and Environmental Assessments Group 

Frag I 6 Aliphatic chloride [-CL) -0.6391 -3.8348 

Frag I 2 Carbon with 4 single bonds & no hydrogens 0.3990 0.7980 

Frag I 2 Aliphatic ether [C-O-C) -0.1071 -0.2143 

Frag I 2 -CH2- [linear] 0.4295 0.8590 

Frag I 2 -CH- [linear] -0.0998 I -0.1995 

MolWtl * Molecular Weight Parameter 1-10.9952 

============+============================================+=========+========= 

RESULT 1Biowin6 (MITI Non-Linear Biodeg Probability) I 0.0001 

============+============================================+=========+========= 

A Probability Greater Than or Equal to 0.5 indicates --> Readily Degradable 

A Probability Less Than 0.5 indicates --> NOT Readily Degradable 

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

TYPE I NUM I Biowin7 FRAGMENT DESCRIPTION I COEFF I VALUE 

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

Frag 2 Aliphatic alcohol [-OH] 0.1328 0.2655 

Frag 6 Aliphatic chloride [-CL] -0.0147 -0.0880 

Frag 2 Carbon with 4 single bonds & no hydrogens -0.3342 -0.6685 

Frag 2 Aliphatic ether [C-0-C] -0.2573 -0.5145 

Frag 2 -CH2- [linear) 0.0260 0.0520 

Frag 2 -CH- [linear] -0.1659 -0.3317 

Constl * Equation Constant 0.8361 

============+============================================+=========+========= 

RESULT Biowin7 (Anaerobic Linear Biodeg Prob) I -0.4490 

============+============================================+=========+========= 

A Probability Greater Than or Equal to 0.5 indicates --> Biodegrades Fast 

A Probability Less Than 0.5 indicates --> Does NOT Biodegrade Fast 

Ready Biodegradability Prediction: (YES or NO) 

Criteria for the YES or NO prediction: If the Biowin3 (ultimate survey 

model) result is "weeks" or faster (i.e. "days", "days to weeks", or 

"weeks" AND the Biowin5 (MITI linear model) probability is >= 0.5, then 

the prediction is YES (readily biodegradable). If this condition is not 

satisfied, the prediction is NO (not readily biodegradable). This method 

is based on application of Bayesian analysis to ready biodegradation data 

(see Help). Biowin5 and 6 also predict ready biodegradability, but for 

degradation in the OECD301C test only; using data from the Chemicals 

Evaluation and Research Institute Japan (CERIJ) database. 

BioHCwin (v1.01) Program Results: 

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

-------------------------- BioHCwin v1.01 Results J 

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

] 
r 

c 

Intertek Expert Services 

Toxicology and Environmental Assessments Group 

AEROWIN Program (vl.OO) Results: 

Sorption to aerosols (25 Dec C) [AEROWIN vl.OO]: 

Vapor pressure (liquid/subcooled): 4.07E-005 Pa (3.05E-007 mm Hg) 

Log Koa (Koawin est ): 13.647 

Kp (particle/gas partition coef. (m3/ug)): 

Mackay model 0.0738 

Octanol/air (Koa) model: 10.9 

Fraction sorbed to airborne particulates (phi): 

Junge-Pankow model 0.727 

Mackay model 0.855 

Octanol/air (Koa) model: 0.999 

AOP Program (vl.92) Results: 

1 

SUMMARY (AOP vl.92): HYDROXYL RADICALS (25 

Hydrogen 

Reaction 

Addition 

Addition 

Addition 

Addition 

Abstraction 

with N, S and -OH 

to Triple Bonds 

to Olefinic Bonds 

to Aromatic Rings 

to Fused Rings 

7.5838 E-12 cm3/molecule-sec 

0.2800 E-12 cm3/molecule-sec 

27.0000 E-12 cm3/molecule-sec 

0.0000 E-12 cm3/molecule-sec 

0.0000 E-12 cm3/molecule-sec 

0.0000 E-12 cm3/molecule-sec 

OVERALL OH Rate Constant 34.8638 E-12 cm3/molecule-sec 

HALF-LIFE = 0.307 Days (12-hr day; 1.5E6 OH/cm3) 

HALF-LIFE= 3.682 Hrs 

deg C) --------

-------------------SUMMARY (AOP vl.91): OZONE REACTION (25 deg C) ----------- OVERALL OZONE Rate Constant 0.003000 E-17 cm3/molecule-sec 

HALF-LIFE = 382.000 Days (at ?Ell mol/cm3) 

Experimental Database: NO Structure Matches 

Fraction sorbed to airborne particulates (phi): 

0.791 (Junge-Pankow, Mackay avg) 

0.999 (Koa method) 

Note: the sorbed fraction may be resistant to atmospheric oxidation 

KOCWIN Program (v2.00) Results: 

J '.....,:· 

KOCWIN v2.00 Results 

Koc Estimate from MCI: 

First Order Molecular Connectivity Index .......... . 

Non-Corrected Log Koc (0.5213 MCI + 0.60) 

Fragment Correction(s): 

2 Aliphatic Alcohol (-C-OH) ........... : -2.6358 

2 Ether, aliphatic (-C-0-C-) . . . . . . . . . . : -1.7432 

Corrected Log Koc ................................. . 

Over Correction Adjustment to Lower Limit Log Koc ... : 

8.049 

4.7955 

0.4165 

1.0000 
[ 

lntertek Expert Services 

Toxicology and Environmental Assessments Group 

Estimated Koc: 10 L/kg <=========== 

Koc Estimate from Log Kow: 

Log Kow (Kowwin estimate) ........................ . 

Non-Corrected Log Koc (0.55313 logKow + 0.9251) 

Fragment Correction(s): 

2 Aliphatic Alcohol (-C-OH) . . . . . . . . . . . : -0.8229 

2 Ether, aliphatic (-C-0-C-) .......... : -0.1812 

Corrected Log Koc ................................. . 

Estimated Koc: 3.299 L/kg <=========== 

HYDROWIN Program (v2.00) Results: 

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

1. 08 

1.5225 

0.5184 

HYDROWIN v2.00 Results 

J 

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

Currently, this program can NOT estimate a hydrolysis rate constant for 

the type of chemical structure entered!! 

ONLY Esters, Carbamates, Epoxides, Halomethanes (containing 1-3 halogens), 

Specific Alkyl Halides & Phosphorus Esters can be estimated!! 

When present, various hydrolyzable compound-types will be identified. 

For more information, (Click OVERVIEW in Help or see the User's Guide) 

***** CALCULATION NOT PERFORMED ***** 

BCFBAF Program (v3.00) Results: 

,'r '·j ============================== 

----------------- BCFBAF v3.00 -------------------------------- Summary Results: 

Log BCF (regression-based estimate): 

Biotransformation Half-Life (days) : 

Log BAF (Arnot-Gobas upper crophic): 

0.38 (BCF = 2.41 L/kg wet-wt) 

0.0764 (normalized to 10 g fish) 

0.26 (BAF = 1.84 L/kg wet-wt) 

Log Kow (experimental): not available from database 

Log Kow used by BCF estimates: 1.08 

Equation Used to Make BCF estimate: 

Log BCF = 0.6598 log Kow - 0.333 + Correction 

Correction(s): Value 

No Applicable Correction Factors 

Estimated Log BCF = 0.381 (BCF 2.406 L/kg wet-wt) 
Intertek Expert Services 

Toxicology and Environmental Assessments Group 

Whole Body Primary Biotransformation Rate Estimate for Fish: 

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

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

TYPE I NUM I LOG BIOTRANSFORMATION FRAGMENT DESCRIPTION I COEFF VALUE 

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

Frag 2 Aliphatic alcohol [-OH] -0.0616 -0.1231 

Frag 6 Aliphatic chloride [-CL] 0.3608 2.1646 

Frag 2 Carbon with 4 single bonds & no hydrogens -0.2984 -0.5969 

Frag 2 Aliphatic ether [C-0-C] -0.0232 -0.0465 

Frag 2 -CH2- [linear] 0.0242 0.0484 

Frag I 2 -CH- [linear] -0.1912 -0.3825 

L Kowl * Log Kow = 1.08 (KowWin estimate) 0.3073 0.3327 

MolWtl * Molecular Weight Parameter -0.9767 

Constl * Equation Constant -1.5058 

============+============================================+=========+========= 

RESULT 

RESULT 

NOTE 

LOG Bio Half-Life (days) I 

Bio Half-Life (days) I 

Bio Half-Life Normalized to 10 g fish at 15 deg C 

I -1.1170 

I 0.07639 

I 

============+============================================+=========+========= 

Biotransformation Rate Constant: 

kM (Rate Constant): 9.074 /day (10 gram fish) 

kM (Rate Constant): 5.103 /day (100 gram fish) 

kM (Rate Constant): 2.87 /day (1 kg fish) 

kM (Rate Constant): 1.614 /day (10 kg fish) 

Arnot-Gobas BCF & BAF Methods (including biotransformation rate estimates): 

Estimated Log BCF (upper trophic) 0.265 (BCF 1.84 L/kg wet-wt) 

Estimated Log BAF (upper trophic) 0.265 (BAF 1.84 L/kg wet-wt) 

Estimated Log BCF (mid trophic) 0.215 (BCF 1.639 L/kg wet-wt) 

Estimated Log BAF (mid trophic) 0.215 (BAF 1.639 L/kg wet-wt) 

Estimated Log BCF (lower trophic) 0.198 (BCF 1.577 L/kg wet-wt) 

Estimated Log BAF (lower trophic) 0.198 (BAF 1.577 L/kg wet-wt) 

Arnot-Gobas BCF & BAF Methods (assuming a biotransformation rate of zero): 

Estimated Log BCF (upper trophic) 0.340 (BCF 2.187 L/kg wet-wt) 

Estimated Log BAF (upper trophic) = 0.343 (BAF = 2.205 L/kg wet-wt) 

Volatilization From Water 

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

Chemical Name: 

[ ----- l Molecular Weight 

Water Solubility 

Vapor Pressure 

Henry's Law Constant: 6.63E-015 atm-m3/mole (estimated by Bond SAR Method) 

RIVER LAKE 

Water Depth (meters): 

Wind Velocity (m/sec): 

Current Velocity (m/sec): 

1 

5 

1 

HALF-LIFE (hours) : 1. 723E+Oll 

1 

0.5 

0.05 

1.88E+012 
( 

Intertek Expert Services 

Toxicology and Environmental Assessments Group 

HALF-LIFE (days ) 

HALF-LIFE (years) 

7.181E+009 

1.966E+007 

7.834E+010 

2.145E+008 

STP Fugacity Model: Predicted Fate in a Wastewater Treatment Facility 

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

(using Biowin/EPA draft method) 

PROPERTIES OF: 

; ' :: 

Aqueous so~uo1lity (mg/1) 

Vapour pressure (Pa) 

(atm) 0 

(~~) 0 

Henry 's law constant (Atm-m3/mol) 

Air-water partition coefficient 

Octanol-water partition coefficient (Kow) 

Log Kow 

Biomass to water partition coefficient 

Temperature [deg C] 

Biodeg rate constants (hA-1),half life in biomass (h) 

(h): 

-Primary tank 

-Aeration tank 

-Settling tank 

0.01 

0.01 

0.01 

63.68 

63.68 

63.68 

STP Overall Chemical Mass Balance: 

g/h mol/h percent 

Influent 1.00E+001 

Primary sludge 2.78E-002 

Waste sludge 1.52E-001 

Primary volatilization 3.61E-012 

Settling volatilization 9.84E-012 

Aeration off gas 2.43E-011 

Primary biodegradation 1.77E-003 

Settling biodegradation 5.29E-004 

Aeration biodegradation 6.96E-003 

Final water effluent 9.81E+000 

Total removal 1.89E-001 

Total biodegradation 9.26E-003 

Level III Fugacity Model (Full-Output): 

10000.00 

10000.00 

10000.00 

2.6E-002 

7.3E-005 

4.0E-004 

9.5E-015 

2.6E-014 

6.4E-014 

4.6E-006 

1. 4E-006 

1. 8E-005 

2.6E-002 

5.0E-004 

2.4E-005 

Henry's LC 

Vapor Press 

Liquid VP 

Melting Pt 

Log Kow 

Soil Koc 

i:~~J!-015 a}m3/mole (Henrywin program) 

1.49e-008 ~ Hg (Mpbpwin program) 

2.78e-007 ~ Hg (super-cooled) 

Mass Amount 

(percent) 

153 deg C (Mpbpwin program) 

1.08 (Kowwin program) 

10 (KOCWIN MCI method) 

Half-Life 

(hr) 

Emissions 

(kg/hr) 

u 

0 

J 

6.63E-015 

2. 7114 7E-013 

12.0226 

1. 08 

3.20453 

25 

and in 2000 mg/L MLSS 

100.00 

0.28 

1.52 

0.00 

0.00 

0.00 

0.02 

0.01 

0.07 

98.11 

1. 89 

0.09 
Intertek Expert Services 

Toxicology and Environmental Assessments Group 

Air 

Water 

Soil 

Sediment 

Fugacity 

(atm) 

Air 

Water 

Soil 

Sediment 

1.97e-007 

40.1 

59.8 

0.0988 

Reaction 

(kg/hr) 

1.74e-018 

2.04e-019 

6.26e-018 

2.03e-019 

7.36 

4.32e+003 

8.64e+003 

3.89e+004 

Advection 

(kg/hr) 

0.00108 

376 

281 

0.103 

Persistence Time: 

Reaction Time: 

Advection Time: 

Percent Reacted: 

1.95e+003 hr 

8.91e+003 hr 

2.49e+003 hr 

21.9 

Percent Advected: 78.1 

1000 

1000 

1000 

0 

Reaction 

(percent) 

0. 000115 

2.34e+003 

0 

0.116 

Advection 

(percent) 

3.61e-005 

12.5 

9.35 

0.00343 

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

Air: 7.357 

Water: 4320 

Soil: 8640 

Sediment: 3.888e+004 

Biowin estimate: 1.197 (recalcitrant) 

Advection Times (hr): 

Air: 100 

Water: 1000 

Sediment: 5e+004 

3.83e-006 

78.1 

0 

0.00385 
ATTACHMENT HEADER SHEET 

Attachment Number 005 

Attachment Name 

Assessment of Toxicity and Chemical Characteristics 

Associated PMN Section Number 

N/A 

Does not contain CBI 

Report Number 

PROC 1102072435551 08 
[ntertek Expert Services 

Toxicology and Environmental Assessments Group 

Summary 

The TOXTREE model1 indicates the material has no structural alerts for mutagenicity and is 

unlikely to be a genotoxic or non-genotoxic carcinogen. The detailed output of the model is 

provided in Table 1. Based on chemical analogs (National Library of Medicine) this compound 

is considered moderately to slightly toxic in acute exposures. 

The environmental chemistry and ecotoxicity of the compound was estimated with the EPA 

EPIWIN model and the output of the model is provided in (Table 2). 

The compound is predicted to have moderate water solubility {3913 mg/L). The material has 

a low calculated octanol-water partition coefficient (Log Kow) of 0.57 and consequently it has 

a low potential to bioaccumulate (calculated Log BCF = 0.500). 

1 R. Benigni, R., C. Bossa, N. Jeliazkova, T. Netzeva and A. Worth. The Benigni I Bossa rulebase for mutagenicity 

and carcinogenicity- a module of Toxtree. 2008. 68 pp. EUR- Scientific and Technical Research series -ISSN 

1018-5593. 
Intertek Expert Services 

Toxicology and Environmental Assessments Group 

The ECOSAR submodel predicted the material will have low toxicity to aquatic organisms. 

The compound is predicted to not biodegrade rapidly. Primary biodegradation is estimated to 

require days or weeks. 

Based on model result[ . 

considered a PBT2 substance. 

SAR Modeling3 

• Physical I Chemical Properties 

Melting Point : 

Boiling Point : 

Water Solubility: 

Log Kow: 

157.90 °C 

382.91 °C 

3913 mg/L 

0.57 

• Biodegradation: linear and non-linear models predict slow biodegradation. MITIIinear 

and non-linear models also predict slow biodegradation. The results of all the models are 

consistent and favor slow biodegradation. 

• Aquatic Toxicitl: 

LCso (96-hr fish) = 

LCso (48-hr daphnid) = 

ECso (96-hr green algae) = 

3761 mg/ L 

1826 mg/ L 

438 mg/ L 

Neutral Organics Model 

Neutral Organics Model 

Neutral Organics Model 

• Bioconcentration (BCF): log BCF = 0.50 (low potential to bioaccumulate) 

2 PBT = Persistence Bioaccumulative Toxic 3 EPA EPIWIN Model, Syracuse Research Corporation 
lntertek Expert Services 

Toxicology and Environmental Assessments Group 

Table 1. TOXTREE Model output ro( J 

QSA l.Acyl halides No 

QSA2.Aikyl (C<5) or benzyl ester of sui phonic or phosphonic acid No 

QSA3.N-methylol derivatives No 

QSA4.Monohaloalkene No 

QSA5.S or N mustard No 

QSA6.ProQiolactones and propiosultones No 

QSA 7 .Epoxides and aziridines No 

QSA8.Aiiphatic halogens No 

QSA9.Aikyl nitrite No 

QSAll.Simple aldehyde No 

QSA12.Quinones No 

QSA13.Hydrazine No 

QSA14.Aiiphatic azo and azoxy No 

QSA15.1socyanate and isothiocyanate groups No 

QSA16.Aikyl carbamate and thiocarbamate No 

QSA18.Polycyclic Aromatic Hydrocarbons No 

QSA19.Heterocyclic Polycyclic Aromatic Hydrocarbons No 

QSA2l.Alkyl and aryl N-nitroso groups No 

QSA22.Azide and triazene groups No 

QSA23.Aiiphatic N-nitro No 

. QSA24.a,6 unsaturated alkoxy No 

QSA25.Aromatic nitroso group No 

QSA26.Aromatic ring N-oxide No 

QSA27.Nitro aromatic No 

QSA28.Primary aromatic amine, hydroxyl amine and its derived esters (with restrictions) No 

QSA28bis.Aromatic mono- and dialkylamine No 

QSA28ter.Aromatic N-acyl amine No 

QSA29.Aromatic diazo No 

QSA30.Coumarins and Furocoumarins No 

QAny alert?.At least one alert fired? No alerts for carcinogenic 

activity 

QSA17.Thiocarbonyl (Nong_enotoxic carcinogens) No 

QSA20.(Poly) Halogenated Cycloalkanes (Nongenotoxic carcinogens) No 

QSA3la.Halogenated benzene (Nongenotoxic carcinogens) No 

QSA3lb.Halogenated PAH (naphthalenes, biphenyls, diphenyls) (Nongenotoxic No 

carcinogens) 

QSA31c.Halogenated dibenzodioxins (Nongenotoxic carcinogens) No 

QNongenotoxic alert?.At least one alert for nongenotoxic carcinogenicity fired? No alerts for carcinogenic 

activity 

QQSAR13 applicable?.a.a unsaturated aldehyde No 

QSAIO.a.a unsaturated carbonyls No 

QaN=Na.Aromatic diazo No 

Qar-N=CH2.Derived aromatic amines No 

QQSAR6,8 applicable?.Aromatic amine without sulfonic group on the same ring No 
Intertek Expert Services 

Toxicology and Environmental Assessments Group 

------------------------------ EPI SUMMARY (v4.00) -------------------------

Physical Property Inputs: 

Log Kow (octanol-water): 

Boiling Point (deg C) 

Melting Point (deg C) 

Vapor Pressure (mm Hg) 

Water Solubility (mg/L): 

Henry LC (atm-m3/mole) 

KOWWIN Program (vl.67) Results: 

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

Log Kow(version 1.67 estimate): 0.57 

r J -------~-----+--------------------------------------------+---------+-------

TYPE I NUM I LOGKOW FRAGMENT DESCRIPTION COEFF VALUE 

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

Frag 

Frag 

Frag 

Frag 

Frag 

Frag 

Frag 

Factor I 

Factor I 

Canst I 

4 

1 

1 

4 

2 

2 

3 

1 

1 

-CH2- [aliphatic carbon] 

-CH [aliphatic carbon] 

C [aliphatic carbon - No H, not tert] 

#C [acetylenic carbon] 

-OH [hydroxy, aliphatic attach] 

-0- [oxygen, aliphatic attach] 

-CL [chlorine, aliphatic attach] 

C-0-C-0-C structure correction 

Multi-alcohol correction 

Equation Constant 

0. 4911 

0.3614 

0. 9723 

I 0.1334 

1-1.4086 

1-1.2566 

I 0.3102 

I 0.5036 

I 0.4064 

I 

1.9644 

0.3614 

0. 9723 

0.5336 

-2.8172 

-2.5132 

0.9306 

0.5036 

0.4064 

0.2290 

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

Log Kow 0.5709 
lntertek Expert Services · 

Toxicology and Environmental Assessments Group 

MPBPVP (vl.43) Program Results: 

Experimental Database Structure Match: no data 

•1 (' 

(' .!.' ... L •.. ) J 

SUMMARY MPBVP vl.43 --------------------

Boiling Point: 

Melting Point: 

Melting Point: 

Mean Melt Pt 

Selected MP: 

382.91 deg C (Adapted Stein and Brown Method) 

349.84 deg C (Adapted Joback Method) 

109.92 deg C (Gold and Ogle Method) 

229.88 deg C (Joback; Gold,Ogle Methods) 

157.90 deg C (Weighted Value) 

Vapor Pressure Estimations (25 deg C): 

(Using BP: 382.91 deg C (estimated)) 

(Using MP: 157.90 deg C (estimated)) 

VP: 2.35E-009 mm Hg (Antoine Method) 

3.13E-007 Pa (Antoine Method) 

VP: 1.12E-008 mm Hg (Modified Grain Method) 

1.5E-006 Pa (Modified Grain Method) 

VP: 2.12E-006 mm Hg (Mackay Method) 

0.000282 Pa (Mackay Method) 

Selected VP: 1.12E-008 mm Hg (Modified Grain Method) 

1.5E-006 Pa (Modified Grain Method) 

Subcooled liquid VP: 2.58E-007 mm Hg (25 deg C, Mod-Grain method) 3.44E-005 Pa (25 deg C, Mod-Grain method) 

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

TYPE I NUM I BOIL DESCRIPTION COEFF VALUE 

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

Group 4 -CH2- 24.22 96.88 

Group 1 >CH- 11.86 11.86 

Group 1 >C< 4.50 4.50 

Group 4 #C- 32.99 131.96 

Group 2 -0- (nonring) 25.16 50.32 

Group 2 -OH (primary) 88.46 176.92 

Group 3 -Cl (tertiary) 36.23 I 108.69 

* I I Equation Constant I 198.18 

=============+====================+==========+========= 

RESULT-uncorrl BOILING POINT in deg Kelvin 779.31 

RESULT- corr I BOILING POINT in deg Kelvin 656.07 

I BOILING POINT in deg C I 382.91 

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

TYPE I NUM I MELT DESCRIPTION COEFF VALUE 

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

Group 4 -CH2- 11.27 45.08 

Group 1 >CH- 12.64 12.64 

Group 1 >C< 46.43 46.43 

Group 4 #C- 64.32 257.28 

Group 2 -0- (nonring) 22.23 44.46 

Group 2 -OH (primary) 44.45 88.90 

·~· ,_...-... T--=· 
r 

Intertek Expert Services 

Toxicology and Environmental Assessments Group 

Group I 

* I 

3 I -Cl (tertiary) 

I Equation Constant 

13.55 

I 

I 40.65 

122.50 

====~========+====================+==========+========= 

RESULT I MELTING POINT in deg Kelvin I 657.94 

RESULT-limit! MELTING POINT in deg Kelvin I 623.00 

I MELTING POINT in deg C I 349.84 

Water Sol from Kow (WSKOW vl.41) Results: 

Water Sol: 3913 mg/L 

'j Ll.i .L \ I·~ 

WSKOW vl.41 Results ---------------------

Log Kow (estimated) 0.57 

Log Kow (experimental): not available from database 

Log Kow used by Water solubility estimates: 0.57 

Equation Used to Make Water Sol estimate: 

LogS (mol/L) = 0.796- 0.854 log Kow- 0.00728 MW +Correction 

(used when Melting Point NOT available) 

Correction(s): Value 

No Applicable Correction Factors 

Log Water Solubility (in moles/L) -1.887 

Water Solubility at 25 deg C (mg/L): 3913 

WATERNT Program (vl.01) Results: 

Water Sol (v1.01 est): 1.0307e+005 mg/L 

[

. 

-

I 

-----+-- ~--------------------------------------------+----------+---------

l 

TYPE I NUM WATER SOLUBILITY FRAGMENT DESCRIPTION COEFF VALUE 

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

Frag I 4 I -CH2- [aliphatic carbon] 1-0.5370 -2.1481 

Frag I 1 I -CH [aliphatic carbon] 1-0.5285 -0.5285 

Frag I 1 I C [aliphatic carbon - No H, not tert] 1-1.0516 -1.0516 

Frag I 4 I oC [acetylenic carbon] 1-0.2829 -1.1317 

Frag I 2 I -OH [hydroxy, aliphatic attach] I 1.6012 3.2025 

Frag I 2 I -0- [oxygen, aliphatic attach] I 1.2746 2.5492 

Frag I 3 I -CL [chlorine, aliphatic attach] 1-0.2872 -0.8616 

Factor! 1 I C-0-C-0-C structure correction 1-0.7456 -0.7456 

Const I I Equation Constant I 0.2492 

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

Log Water Sol (moles/L) at 25 dec C -0.4662 
Intertek Expert Services 

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Water Solubility (mg/L) at 25 dec C =1.0307e+005 

ECOSAR Program (v1.00) Results: 

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

[ ~hem!Dl' 

[ 

ChemiD2: 

ChemiD3: 

Log Kow: 0.~7 (KowWin estimate) 

Melt Pt: 

Wat Sol: 3913 mg/L (WskowWin estimate) 

ECOSAR vl.OO C1ass(es) Found 

Propargyl Alcohols 

Propargyl Ethers 

Halo Ethers 

Predicted 

ECOSAR Class 

(ppm) 

Organism 

J 

Duration End Pt 

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

Propargyl Alcohols 

Propargyl Alcohols 

Propargyl Alcohols 

Propargyl Alcohols 

Propargyl Alcohols 

! 

Propargyl Alcohols 

! 

Propargyl Ethers 

Propargyl Ethers 

* 

Propargyl Ethers 

Propargyl Ethers 

! 

Propargyl Ethers 

! 

Propargyl Ethers 

Halo Ethers 

Halo Ethers 

Halo Ethers 

Halo Ethers 

Fish 

Daphnid 

Green Algae 

Fish 

Daphnid 

Green Algae 

Fish 

Daphnid 

Green Algae 

Fish 

Daphnid 

Green Algae 

Fish 

Daphnid 

Fish 

Daphnid 

96-hr 

48-hr 

96-hr 

96-hr 

48-hr 

96-hr 

21-day 

96-hr 

48-hr 

LC50 

LC50 

EC50 

ChV 

ChV 

ChV 

LC50 

LC50 

EC50 

ChV 

ChV 

ChV 

LC50 

LC50 

ChV 

ChV 

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

Neutral Organic SAR 

(Baseline Toxicity) 

Green Algae 

Fish 

Daphnid 

Fish 

Daphnid 

96-hr EC50 

ChV 

ChV 

96-hr 

48-hr 

438.004 

368.546 

131.005 

LC50 

LC50 

mg/L 

22.564 

25.715 

438.004 

14.020 

1. 861 

66.662 

370.595 

7765.344 

1025.625 

30.940 

4.730 

290.469 

564.859 

122.414 

45.755 

10.284 

3761.593 

1826.182 
Intertek Expert Services 

Toxicology and Environmental Assessments Group 

: Green Algae ChV 122.110 

Note: * = asterisk designates: Chemical may not be soluble 

enough to measure this predicted effect. 

Note: ! = exclamation designates: The toxicity value was determined from 

a predicted SAR using established acute-to-chronic ratios and ECOSAR 

regression techniques which are documented in the supporting Technical 

Reference Manual. When possible, this toxicity value should be 

considered in a weight of evidence approach. 

Propargyl Alcohols: 

For Fish and Daphnid Acute Toxicity Values: If the log Kow of the chemical 

is greater than 5.0, or if the compound is solid and the LC50 exceeds the 

water solubility by lOX, no effects at saturation are predicted for these 

endpoints. 

For Green Algae Acute Toxicity Values: If the log Kow of the chemical is 

greater than 6.4, or if the compound is solid and the EC50 exceeds the water 

solubility by lOX, no effects at saturation are predicted for these 

endpoints. 

For All Chronic Toxicity Values: If the log Kow of the chemical is greater 

than 8.0, or if the compound is solid and the ChV exceeds the water 

solubility 

by lOX, no effects at saturation are predicted for these endpoints. 

ECOSAR vl.OO SAR Limitations: 

Maximum LogKow: 5.0 (LCSO) 

Maximum LogKow: 6.4 (ECSO) 

Maximum LogKow: 8.0 (ChV) 

Maximum Mol Wt: 1000 

Propargyl Ethers: 

For Fish and Daphnid Acute Toxicity Values: If the log Kow of the chemical 

is greater than 5.0, or if the compound is solid and the LCSO exceeds the 

water solubility by lOX, no effects at saturation are predicted for these 

endpoints. 

For Green Algae Acute Toxicity Values: If the log Kow of the chemical is 

greater than 6.4, or if the compound is solid and the EC50 exceeds the water 

solubility by lOX, no effects at saturation are predicted for these 

endpoints. 

For All Chronic Toxicity Values: If the log Kow of the chemical is greater 

than 8.0, or if the compound is solid and the ChV exceeds the water 

solubility 

by lOX, no effects at saturation are predicted for these endpoints. 

ECOSAR vl.OO SAR Limitations: 

Maximum LogKow: 5.0 (LC50) 

Maximum LogKow: 6.4 (EC50) 

Maximum LogKow: 8.0 (ChV) 

Maximum Mol Wt: 1000 

Halo Ethers 
!ntertek Expert Services 

Toxicology and Environmental Assessments Group 

For Fish and Daphnid Acute Toxicity Values: If the log Kow of the chemical 

is greater than 5.0, or if the compound is solid and the LC50 exceeds the 

water solubility by lOX, no effects at saturation are predicted for these 

endpoints. 

For Green Algae Acute Toxicity Values: If the log Kow of the chemical is 

greater than 6.4, or if the compound is solid and the EC50 exceeds the water 

solubility by lOX, no effects at saturation are predicted for these 

endpoints. 

For All Chronic Toxicity Values: If the log Kow of the chemical is greater 

than 8.0, or if the compound is solid and the ChV exceeds the water 

solubility 

by lOX, no effects at saturation are predicted for these endpoints. 

ECOSAR vl.OO SAR Limitations: 

Maximum LogKow: 5.0 (LC50) 

Maximum LogKow: 6.4 (EC50) 

Maximum LogKow: 8.0 (ChV) 

Maximum Mol Wt: 1000 

Baseline Toxicity SAR Limitations: 

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

Maximum LogKow: 6.4 (Green Algae EC50) 

Maximum LogKow: 8.0 (ChV) 

Maximum Mol Wt: 1000 

HENRYWIN (v3.20) Program Results: 

' .. 

,, !... .' 1.. ,,.-•(} 

------------- ------------- HENRYWIN v3.20 Results -------------------------

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

CLASS BOND CONTRIBUTION DESCRIPTION I COMMENT I VALUE 

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

HYDROGEN 9 Hydrogen to Carbon (aliphatic) Bonds -1.0771 

HYDROGEN 2 Hydrogen to Oxygen Bonds 6.4635 

FRAGMENT 1 c-c 0. 1163 

FRAGMENT 6 c-o 6.5128 

FRAGMENT 4 c-ct 2.1500 

FRAGMENT 3 C-CL 1.0004 

FRAGMENT 2 C#C 0.0000 

FACTOR 1 Additional aliphatic alcohol -OH(s) -3.0000 

FACTOR * Adjacent aliphatic ether function(s) -.7000 

----------+---------------------------------------------+---------+---------
[ 

Intertek Expert Services 

Toxicology and Environmental Assessments Group 

RESULT BOND ESTIMATION METHOD for LWAPC VALUE TOTAL I 11.466 

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

HENRYs LAW CONSTANT at 25 deg C = 8.37E-014 atm-m3/mole 

3.42E-012 unitless 

= 8.48E-009 Pa-m3/mole 

For Henry LC Comparison Purposes: 

Exper Database: none available 

User-Entered Henry LC: not entered 

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values] : 

HLC: 1.136E-012 atm-m3/mole (1.151E-007 Pa-m3/mole) 

VP: 1.12E-008 mm Hg (source: MPBPVP) 

WS: 3.91E+003 mg/L (source: WSKOWWIN) 

Log Octanol-Air (KOAWIN vl.lO) Results: 

====~================================= 

Log Koa: 12.036 J -------~----- -------------- KOAWIN vl.lO Results --------------------------

Log Koa (octanol/air) estimate: 12.036 

Koa (octanol/air) estimate: 1.086e+012 

Using: 

Log Kow: 

HenryLC: 

Log Kaw: 

LogKow 

LogKow 

Henry LC: 

Henry LC: 

0.57 (KowWin est) 

8.37e-014 atm-m3/mole (HenryWin est) 

-11.466 (air/water part.coef.) 

(exp database) 

0.57 (KowWin estimate) 

--- atm-m3/mole(exp database) 

8.37e-014 atm-m3/mole (HenryWin bond estimate) 
( 

\ 

'-~ 

' \ 

Intertek Expert Services 

Toxicology and Environmental Assessments Group 

Log Koa (octanol/air) estimate: 12.036 (from KowWin/HenryWin) 

BIOWIN (v4.10) Program Results: 

=============================~ 

('· J l ------------- BIOWIN v4.10 Results 

Biowinl (Linear Model Prediction) Does Not Biodegrade Fast 

Biowin2 (Non-Linear Model Prediction): Does Not Biodegrade Fast 

Biowin3 (Ultimate Biodegradation Timeframe) : Months 

Biowin4 (Primary Biodegradation Timeframe): Weeks 

Biowin5 (MITI Linear Model Prediction) Does Not Biodegrade Fast 

Biowin6 (MITI Non-Linear Model Prediction): Does Not Biodegrade Fast 

Biowin7 (Anaerobic Model Prediction): Does Not Biodegrade Fast 

Ready Biodegradability Prediction: NO 

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

TYPE I NUM I Biowinl FRAGMENT DESCRIPTION COEFF VALUE 

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

Frag I 2 Aliphatic alcohol [-OH] 0.1587 0.3175 

Frag I 3 Aliphatic chloride [-CL] -0.1114 -0.3342 

Frag I 1 Carbon with 4 single bonds & no hydrogens -0.1839 -0.1839 

Frag I 2 Aliphatic ether [C-0-C] -0.3474 -0.6947 

MolWtl * Molecular Weight Parameter -0.1436 

Constl * Equation Constant 0.7475 

============+============================================+=========+======== 

RESULT Biowinl (Linear Biodeg Probability) I -0.2914 

============+============================================+=========+======== 

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

TYPE I NUM I Biowin2 FRAGMENT DESCRIPTION COEFF VALUE 

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

Frag I 

Frag I 

Frag I 

Frag I 

MolWtl 

2 

3 

1 

2 

* 

Aliphatic alcohol [-OH] 

Aliphatic chloride [-CL] 

Carbon with 4 single bonds & no hydrogens 

Aliphatic ether [C-0-C] 

Molecular Weight Parameter 

1.1178 

-1.8528 

-1.7232 

-3.4294 

2.2356 

-5.5584 

-1.7232 

-6.8588 

-4.2821 

============+============================================+=========+======== 

RESULT Biowin2 (Non-Linear Biodeg Probability) 0.0000 

============+============================================+=========+======== 

A Probability Greater Than or Equal to 0.5 indicates --> Biodegrades Fast 

A Probability Less Than 0.5 indicates --> Does NOT Biodegrade Fast 

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

TYPE I NUM I Biowin3 FRAGMENT DESCRIPTION COEFF VALUE 
lntertek Expert Services 

Toxicology and Environmental Assessments Group 

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

Frag I 2 

Frag I 3 

Frag I 1 

Frag I 2 

Mo1Wtl * 

Constl * 

Aliphatic alcohol [-OH) 

Aliphatic chloride [-CL] 

Carbon with 4 single bonds & no hydrogens 

Aliphatic ether [C-0-C) 

Molecular Weight Parameter 

Equation Constant 

0.1600 

-0.1732 

-0.2121 

-0.0087 

0.3199 

-0.5195 

-0.2121 

-0.0173 

-0.6664 

3.1992 

============+============================================+=========+======== 

RESULT Biowin3 (Survey Model - Ultimate Biodeg) 2.1037 

============+============================================+=========+======== 

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

TYPE I NUM I Biowin4 FRAGMENT DESCRIPTION COEFF VALUE 

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

Frag I 2 Aliphatic alcohol [-OH) 0.1294 0.2589 

Frag I 3 Aliphatic chloride [-CL) -0.1006 -0.3018 

Frag I 1 Carbon with 4 single bonds & no hydrogens -0.1534 -0.1534 

Frag I 2 Aliphatic ether [C-0-C) -0.0097 -0.0195 

MolWtl * Molecular Weight Parameter -0.4351 

Constl * Equation Constant 3.8477 

============+============================================+=========+======== 

RESULT Biowin4 (Survey Model - Primary Biodeg) 3.1968 

============+============================================+=========+======== 

Result Classification: 5.00 -> hours 

(Primary & Ultimate) 2.00 -> months 

4.00 -> days 

1.00 -> longer 

3.00 -> weeks 

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

TYPE I NUM I Biowin5 FRAGMENT DESCRIPTION COEFF VALUE 

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

Frag I 2 

Frag I 3 

Frag I 1 

Frag I 2 

Frag I 4 

Frag I 1 

MolWtl * 

Constl * 

Aliphatic alcohol [-OH) 

Aliphatic chloride [-CL) 

Carbon with 4 single bonds & no hydrogens 

Aliphatic ether [C-0-C) 

-CH2- [linear) 

-CH- [linear 1 

Molecular Weight Parameter 

Equation Constant 

0.1611 

0. 0011 

0.0676 

0.0015 

0.0494 

-0.0507 

0.3223 

0.0033 

0.0676 

0.0029 

0.1977 

-0.0507 

-0.8971 

0. 7121 

============+============================================+=========+======== 

RESULT Biowin5 (MIT! Linear Biodeg Probability) 0.3581 

============+============================================+=========+======== 

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

TYPE I NUM I Biowin6 FRAGMENT DESCRIPTION COEFF VALUE 

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

Frag 

Frag 

Frag 

2 

3 

1 

Aliphatic alcohol [-OH) 

Aliphatic chloride [-CL] 

Carbon with 4 single bonds & no hydrogens 

""1' 

1.0041 

-0.6391 

0.3990 

2.0083 

-1.9174 

0.3990 
[ntertek Expert Services 

Toxicology and Environmental Assessments Group 

Frag 

Frag 

Frag I 

MolWtl 

2 

4 

1 

* 

Aliphatic ether [C-0-C] 

-CH2- [linear] 

-CH- [linear] 

Molecular Weight Parameter 

-0.1071 

0.4295 

-0.0998 

-0.2143 

1. 7180 

-0.0998 

-8.7055 

============+============================================+=========+======== 

RESULT 1Biowin6 (MITI Non-Linear Biodeg Probability) I 0.0136 

============+============================================+=========+======== 

A Probability Greater Than or Equal to 0.5 indicates --> Readily Degradable 

A Probability Less Than 0.5 indicates --> NOT Readily Degradable 

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

TYPE I NUM I Biowin7 FRAGMENT DESCRIPTION COEFF VALUE 

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

Frag 2 Aliphatic alcohol [-OH] 0.1328 0.2655 

Frag 3 Aliphatic chloride [-CL] -0.0147 -0.0440 

Frag 1 Carbon with 4 single bonds & no hydrogens -0.3342 -0.3342 

Frag 2 Aliphatic ether [C-0-C] -0.2573 -0.5145 

Frag 4 -CH2- [linear] 0.0260 0.1040 

Frag I 1 -CH- [linear] -0.1659 -0.1659 

Constl * Equation Constant 0.8361 

============+============================================+=========+======== 

RESULT Biowin7 (Anaerobic Linear Biodeg Prob) 0.1470 

============+============================================+=========+======== 

A Probability Greater Than or Equal to 0.5 indicates --> Biodegrades Fast 

A Probability Less Than 0.5 indicates --> Does NOT Biodegrade Fast 

Ready Biodegradability Prediction: (YES or NO) 

Criteria for the YES or NO prediction: If the Biowin3 (ultimate survey 

model) result is "weeks" or faster (i.e. "days", "days to weeks", or 

"weeks" AND the Biowin5 (MITI linear model) probability is >= 0.5, then 

the prediction is YES (readily biodegradable). If this condition is not 

satisfied, the prediction is NO (not readily biodegradable). This method 

is based on application of Bayesian analysis to ready biodegradation data 

(see Help) . Biowin5 and 6 also predict ready biodegradability, but for 

degradation in the OECD301C test only; using data from the Chemicals 

Evaluation and Research Institute Japan (CERIJ) database. 

BioHCwin (v1.01) Program Results: 

======~======================= 

~ J --------------- ---------- BioHCwin v1.01 Results --------------------------

NO Estimate Possible ... Structure NOT a Hydrocarbon 

(Contains atoms other than C, H or S (-S-)) 

-,........ 

:' 
r 

[ 

lntertek Expert Services 

Toxicology and Environmental Assessments Group 

AEROWIN Program (v1.00) Results: 

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

Sorption to aerosols (25 Dec C) [AEROWIN v1.00]: 

Vapor pressure (liquid/subcooled): 3.44E-005 Pa (2.58E-007 mm Hg) 

Log Koa (Koawin est ): 12.036 

Kp (particle/gas partition coef. (m3/ug)): 

Mackay model 0.0872 

Oct~-?1/air (Koa) model: 0.267 

~r3~cion sorbed to airborne particulates (phi): 

Junge-Pankow model 0.759 

Mackay model 0.875 

Oc~anol/air (Koa) model: 0.955 

AOP Program (v1.92) Results: 

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

------- -- -------SUMMARY (AOP v1.92): HYDROXYL RADICALS (25 deg C) ------

Hydrogen Abstraction 8.8959 E-12 cm3/molecule-sec 

Reaction with N, s and -OH 0.2800 E-12 cm3/molecule-sec 

Addition to Triple Bonds 54.0000 E-12 cm3/molecule-sec 

Addition to Olefinic Bonds = 0.0000 E-12 cm3/molecule-sec 

Addition to Aromatic Rings 0.0000 E-12 cm3/molecule-sec 

Addition to Fused Rings 0.0000 E-12 cm3/molecule-sec 

OVERALL OH Rate Constant 63.1759 E-12 cm3/molecule-sec 

HALF-LIFE= 0.169 Days (12-hr day; 1.5E6 OH/cm3) 

HALF-LIFE = 2.032 Hrs 

------------------- SUMMARY (AOP v1.91): OZONE REACTION (25 deg C) ---------

OVERALL OZONE Rate Constant 0.006000 E-17 cm3/molecule-sec 

HALF-LIFE = 191.000 Days (at 7E11 mol/cm3) 

Experimental Database: NO Structure Matches 

Fraction sorbed to airborne particulates (phi): 

0.817 (Junge-Pankow, Mackay avg) 

0.955 (Koa method) 

Note: the sorbed fraction may be resistant to atmospheric oxidation 

KOCWIN Program (v2.00) Results: 

=======~===~================== 

--------------------------- KOCWIN v2.00 Results 

Koc Estimate from MCI: 

First Order Molecular Connectivity Index 8.019 
r 

Intertek Expert Services 

Toxicology and Environmental Assessments Group 

Non-Corrected Log Koc (0.5213 MCI + 0.60) 

Fragment Correction(s): 

2 Aliphatic Alcohol ( -C-OH) . . . . . . . . . . . : -2.6358 

2 Ether, aliphatic (-C-0-C-) .......... : -1.7432 

Corrected Log Koc ................................. . 

Over Correction Adjustment to Lower Limit Log Koc ... : 

Estimated Koc: 10 L/kg <=========== 

Koc Estimate from Log Kow: 

Log Kow (Kowwin estimate) ........................ . 

Non-Corrected Log Koc (0.55313 1ogKow + 0.9251) 

Fragment Correction(s): 

2 Aliphatic Alcohol (-C-OH) ........... : -0.8229 

2 Ether, aliphatic (-C-0-C-) . . . . . . . . . . : -0.1812 

Corrected Log Koc ................................. . 

Estimated Koc: 1.723 L/kg <=========== 

HYDROWIN Program (v2.00) Results: 

====================--=----

) 

4.7803 

0.4013 

1. 0000 

0.57 

1. 2404 

0.2363 

HYDROWIN v2.00 Results -------------------------

Currently, this program can NOT estimate a hydrolysis rate constant for 

the type of chemical structure entered!! 

ONLY Esters, Carbamates, Epoxides, Halomethanes (containing 1-3 halogens), 

Specific Alkyl Halides & Phosphorus Esters can be estimated!! 

When present, various hydrolyzable compound-types will be identified. 

For more information, (Click OVERVIEW in Help or see the User's Guide) 

***** CALCULATION NOT PERFORMED ***** 

BCFBAF Program (v3.00) Results: 

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

BCFBAF~.00 -----------------------------

Summary Results: 

Log BCF (regression-based estimate): 

Biotransformation Half-Life (days) : 

Log BAF (Arnot-Gobas upper trophic): 

0.50 (BCF = 3.16 L/kg wet-wt) 

0.0243 (normalized to 10 g fish) 

0.04 (BAF = 1.09 L/kg wet-wt) 

Log Kow (experimental): not available from database 

Log Kow used by BCF estimates: 0.57 
lntertek Expert Services 

Toxicology and Environmental Assessments Group 

Equation Used to Make BCF estimate: 

Log BCF '=: 0.50 

Correction(s): Value 

Correction Factors Not Used for Log Kow < 1 

Estimated Log BCF = 0.500 (BCF = 3.162 L/kg wet-wt) 

==========~================================================ 

Whole Body Primary Biotransformation Rate Estimate for Fish: 

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

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

TYPE I NUM I LOG BIOTRANSFORMATION FRAGMENT DESCRIPTION I COEFF VALUE 

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

Frag 2 Aliphatic alcohol [-OH] -0.0616 -0.1231 

Frag 3 Aliphatic chloride [-CL] 0.3608 1. 0823 

Frag 1 Carbon with 4 single bonds & no hydrogens -0.2984 -0.2984 

Frag 2 Aliphatic ether [C-0-C] -0.0232 -0.0465 

Frag 4 -CH2- [linear] 0.0242 0.0967 

Frag 1 -CH- [linear] -0.1912 -0.1912 

L Kowl * Log Kow = 0.57 (KowWin estimate) 0.3073 0.1755 

MolWtl * Molecular Weight Parameter -0.7733 

Constl * Equation Constant -1.5058 

============+============================================+=========+======== 

RESULT 

RESULT 

NOTE 

LOG Bio Half-Life (days) I 

Bio Half-Life (days) I 

Bio Half-Life Normalized to 10 g fish at 15 deg C 

-1.6151 

0.02426 

============+============================================+=========+======== 

Biotransformation Rate Constant: 

kM (Rate Constant): 28.57 /day (10 gram fish) 

kM (Rate Constant): 16.07 /day (100 gram fish) 

kM (Rate Constant): 9.035 /day (1 kg fish) 

kM (Rate Constant): 5.081 /day (10 kg fish) 

Arnot-Gobas BCF & BAF Methods (including biotransformation rate estimates): 

Estimated Log BCF (upper trophic) 0.036 (BCF 1.086 L/kg wet-wt) 

Estimated Log BAF (upper trophic) 0.036 (BAF 1.086 L/kg wet-wt) 

Estimated Log BCF (mid trophic) 0.042 (BCF 1.102 L/kg wet-wt) 

Estimated Log BAF (mid trophic) 0.042 (BAF 1.102 L/kg wet-wt) 

Estimated Log BCF (lower trophic) 0.041 (BCF 1.1 L/kg wet-wt) 

Estimated Log BAF (lower trophic) 0.041 (BAF 1.1 L/kg wet-wt) 

Arnot-Gobas BCF & BAF Methods (assuming a biotransformation rate of zero): 

Estimated Log BCF (upper trophic) 0.111 (BCF 1.291 L/kg wet-wt) 

Estimated Log BAF (upper trophic) = 0.113 (BAF = 1.296 L/kg wet-wt) 
I 

\ 

c 

[ntertek Expert Services 

Toxicology and Environmental Assessments Group 

Volatilization From Water 

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

) Water Solubility 

Vapor Pressure 

Henry's Law Constant: 8.37E-014 atm-m3/mole (estimated by Bond SAR Method) 

RIVER LAKE 

Water Depth (meters): 1 

5 

1 

Wind Velocity (m/sec): 

Current Velocity (m/sec): 

HALF~LIFE (hours) 

HALF-LIFE (days ) 

HALF-LIFE (years) 

1.215E+010 

5.061E+008 

1. 386E+006 

1 

0.5 

0.05 

1.325E+Oll 

5.521E+009 

1.512E+007 

STP Fugacity Model: Predicted Fate in a Wastewater Treatment Facility 

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

(using Biowin/EPA draft method) 

PROPERTIES OF: 

Molecular weight (g/mol) 

Aqueous solubility (mg/1) 

Vapour pressure (Pa) 

(atm) 

(mm Hg) 

0 

0 

Henry 's law constant (Atm-m3/mol) 

Air-water partition coefficient 

Octanol-water partition coefficient (Kow) 

Log Kow 

Biomass to water partition coefficient 

Temperature (deg C] 

301.56 

0 

0 

8.37E-014 

3.42308E-012 

3. 71535 

0.57 

1.54307 

25 

Biodeg rate constants (hA-1),half life in biomass (h) and in 2000 mg/L MLSS 

(h): 

-Primary tank 

-Aeration tank 

-Settling tank 

0.23 

2.25 

2.25 

3.08 

0.31 

0.31 

STP Overall Chemical Mass Balance: 

g/h mol/h percent 

Influent 1.00E+001 

Primary sludge 2.58E-002 

Waste sludge 1.40E-001 

Primary volatilization 4. 55E-011 

Settling volatilization 1.16E-010 

Aeration off gas 2.86E-010 

Primary biodegradation 1.76E-002 

Settling biodegradation 4.90E-002 

Aeration biodegradation 6.47E-001 

Final water effluent 9.12E+000 

1000.00 

100.00 

100.00 

3.3E-002 

8.6E-005 

4.7E-004 

1.5E-013 

3.8E-013 

9.5E-013 

5.8E-005 

1.6E-004 

2.1E-003 

3.0E-002 

~ ~rr- ··1· 

100.00 

0.26 

1. 40 

0.00 

0.00 

0.00 

0.18 

0.49 

6.47 

91.20 

I: 
lntertek Expert Services 

Toxicology and Environmental Assessments Group 

Total removal 

Total biodegradation 

8.80E-001 

7 .14E-001 

Level III Fugacity Model (Full-Output): 

Chern Name 

Molecular Wt: 301.56 

2.9E-003 

2.4E-003 

Henry's LC 

Vapor Press 

Liquid VP 

Melting Pt 

Log Kow 

Soil Koc 

8.37e-014 atm-m3/mole (Henrywin program) 

1.12e-008 mm Hg (Mpbpwin program) 

2.31e-007 mm Hg (super-cooled) 

158 deg C (Mpbpwin program) 

0.57 (Kowwin program) 

10 (KOCWIN MCI method) 

Mass Amount Half-Life Emissions 

(percent) (hr) (kg/hr) 

Air 3.91e-006 4.06 

Water 37 1.44e+003 

Soil 62.9 2.88e+003 

Sediment 0.0896 1.3e+004 

Fugacity Reaction Advection 

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

Air 2.78e-017 0.0286 

Water 2.2e-018 763 

Soil 7.71e-017 650 

Sediment 2.15e-018 0.206 

Persistence Time: 

Reaction Time: 

Advection Time: 

Percent Reacted: 

1.43e+003 hr 

3.04e+003 hr 

2.7e+003 hr 

47.1 

Percent Advected: 52.9 

1000 

1000 

1000 

0 

Reaction 

(percent) 

0.00168 

1.59e+003 

0 

0.0769 

Advection 

(percent) 

0.000954 

25.4 

21.7 

0.00685 

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

Air: 4.06 

Water: 1440 

Soil: 2880 

Sediment: 1.296e+004 

Biowin estimate: 2.104 (months 

Advection Times (hr): 

Air: 100 

Water: 1000 

Sediment: 5e+004 

8.80 

7.14 

5.59e-005 

52.9 

0 

0.00256 
( 

\ __ 

ATTACHMENT HEADER SHEET 

Attachment Number 006 

Attachment Name 

Assessment of Toxicity and Chemical Characteristics 

Associated PMN Section Number 

N/A 

Does not contain CBI 

Report Number 

PROC110207243555108 
[ntertek Expert Services 

Toxicology and Environmental Assessments Group 

Summary 

The TOXTREE model1 indicates the material has no structural alerts for mutagenicity 

and is unlikely to be a genotoxic or non-genotoxic carcinogen. The detailed output of 

the model is provided in Table 1. Based on chemical analogs (National Library of 

Medicine) this compound is considered moderately to slightly toxic in acute exposures. 

The environmental chemistry and ecotoxicity of the compound was estimated with the 

EPA EPIWIN model and the output of the model is provided in (Table 2). 

The compound is predicted to have high water solubility (lx106 mg/L). The material has 

a low calculated octanol-water partition coefficient (Log Kow) of 0.07 and consequently 

it has a low potential to bioaccumulate (calculated Log BCF = 0.500). 

The ECOSAR submodel predicted the material will have low toxicity to aquatic 

organisms. The compound is predicted to not biodegrade rapidly. Primary 

biodegradation is estimated to require days or weeks. 

/ 

Based on model results ·1 

considered a PBT2 subst~nce. 

I 

.-> is not 

1 R. Benigni, R., C. Bossa, N. Jeliazkova, T. Netzeva and A. Worth. The Benigni I Bossa rulebase for 

mutagenicity and carcinogenicity- a module of Toxtree. 2008. 68 pp. EUR- Scientific and Technical 

Research series- ISSN 1018-5593. 2 PBT = Persistence Bioaccumulative Toxic 
[ntertek Expert Services 

Toxicology and Environmental Assessments Group 

SAR Modeling3 

• Physical I Chemical Properties 

Melting Point : 

Boiling Point : 

Water Solubility: 

Log Kow: 

102.76 °C 

308.65 °C 

1,000,000 mg/l 

0.07 

• Biodegradation: Linear and non-linear models predict slow biodegradation. MITI 

linear and non-linear models also predict slow biodegradation. The results of all the 

models are consistent and favor slow biodegradation. 

• Aquatic Toxicity : 

LCso (96-hr fish) = 

LCso (48-hr daphnid) = 

EC50 (96-hr green algae) = 

7655 mg/ L 

3500 mg/ L 

684 mg/ l 

Neutral Organics Model 

Neutral Organics Model 

Neutral Organics Model 

• Bioconcentration (BCF): log BCF = 0.500 (low potential to bioaccumulate) 

3 EPA EPIWIN Model, Syracuse Research Corporation 
lntertek Expert Services 

Toxicology and Environmental Assessments Group 

Table l. TOXTREE Model[ l 

QSAI.Acyl halides No 

QSA2.Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid No 

QSA3.N-methylol derivatives No 

QSA4.Monohaloalkene No 

QSA5 .S or N mustard No 

QSA6.Propiolactones and propiosultones No 

QSA 7 .Epoxides and aziridines No 

QSA8.AJiphatic halogens No 

QSA9.Alkyl nitrite No 

QSAll.Simple aldehyde No 

QSA12.Quinones No 

QSAl3.Hydrazine No 

QSAl4.AJiphatic azo and azoxy No 

QSAl5.Isocyanate and isothiocyanate groups No 

QSAl6.AJkyl carbamate and thiocarbamate No 

QSA18.Polycyclic Aromatic Hydrocarbons No 

QSA19.Heterocyclic Polycyclic Aromatic Hydrocarbons No 

QSA2l.Alkyl and aryl N-nitroso groups No 

QSA22.Azide and triazene groups No 

QSA23.Aliphatic N-nitro No 

QSA24.a,l} unsaturated alkoxy No 

QSA25.Aromatic nitroso group No 

("-- QSA26.Aromatic ring N-oxide No 

QSA27 .Nitro aromatic No 

QSA28.Primary aromatic amine, hydroxyl amine and its derived esters (with No 

restrictions) 

QSA28bis.Aromatic mono- and dialkylamine No 

QSA28ter.Aromatic N-acyl amine No 

QSA29.Aromatic diazo No 

QSA30.Coumarins and Furocoumarins No 

QAny alert?.At least one alert tired? No alerts for carcinogenic 

activity 

QSAl7.Thiocarbonyl (Nongenotoxic carcinogens) No 

QSA20.(Poly) Halogenated Cycloalkanes (Nongenotoxic carcinogens) No 

QSA3la.Halogenated benzene (Nongenotoxic carcinogens) No 

QSA3l b.Halogenated P AH (naphthalenes, biphenyls, diphenyls) (Nongenotoxic No 

carcinogens) 

QSA3lc.Halogenated dibenzodioxins (Nongenotoxic carcinogens) No 

QNongenotoxic alert?.At least one alert for nongenotoxic carcinogenicity fired? No alerts for carcinogenic 

activity 

QQSARl3 applicable?.a,l} unsaturated aldehyde No 

QSAlO.a.~ unsaturated carbonyls No 

QaN=Na.Aromatic diazo No 

Qar-N=CH2.Derived aromatic amines No 

QQSAR6,8 applicable?.Aromatic amine without sulfonic group on the same ring No 

II 
lntertek Expert Services 

Toxicology and Environmental Assessments Group 

------------------------------ EPI SUMMARY (v4.00) ---------------------

Physical Property Inputs: 

Log Kow (octanol-water): 

Boiling Point (deg C) 

Melting Point (deg C) 

Vapor Pressure (mm Hg) 

Water Solubility (mg/L): 

Henry LC (atm-m3/mole) 

KOWWIN Program (v1.67) Results: 

Log Kowiversion 1.67 estimate): 0.07 

~ TYPE 

-------·-----·---------------------~--------------------+---------+-------- I NUM I LOGKOW FRAGMENT DESCRIPTION COEFF VALUE 

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

Frag 2 -CH2- [aliphatic carbon) 0.4911 0.9822 

Frag 1 -CH [aliphatic carbon] 0.3614 0.3614 

Frag 1 C [aliphatic carbon - No H, not tert) 0.9723 0.9723 

Frag 2 #C [acetylenic carbon) I 0.1334 0.2668 

Frag 2 -OH [hydroxy, aliphatic attach) 1-1.4086 -2.8172 

Frag 1 -0- [oxygen, aliphatic attach) 1-1.2566 -1.2566 

Frag 3 -CL [chlorine, al~phatic attach) I 0.3102 0.9306 

Factorl 1 Multi-alcohol correction I 0.4064 0.4064 

Const I Equation Constant I 0.2290 

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

Log Kow 0.0749 

MPBPVP (v1.43) Program Results: 

II 
lntertek Expert Services 

Toxicology and Environmental Assessments Group 

=~============================= 

Experimental Database Structure Match: no data 

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

Boiling Point: 

Melting Point: 

Melting Point: 

Mean Melt Pt 

Selected MP: 

308.65 deg C (Adapted Stein and Brown Method) 

211.37 deg C (Adapted Joback Method) 

66.56 deg C (Gold and Ogle Method) 

138.96 deg C (Joback; Gold,Ogle Methods) 

102.76 deg C (Weighted Value) 

Vapor Pressure Estimations (25 deg C): 

(Using BP: 308.65 deg C (estimated)) 

(Using MP: 102.76 deg C (estimated)) 

VP: 4.81E-006 mm Hg (Antoine Method) 

0.000641 Pa (Antoine Method) 

VP: 7.19E-006 mm Hg (Modified Grain Method) 

0.000958 Pa (Modified Grain Method) 

VP: 0.000399 mm Hg (Mackay Method) 

0.0531 Pa (Mackay Method) 

Selected VP: 7.19E-006 mm Hg (Modified Grain Method) 

0.000958 Pa (Modified Grain Method) 

Subcooled liquid VP: 4.12E-005 mm Hg (25 deg C, Mod-Grain method) 

0.0055 Pa (25 deg C, Mod-Grain method) 

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

TYPE I NOM I BOIL DESCRIPTION COEFF VALUE 

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

Group 2 -CH2- 24.22 48.44 

Group 1 >CH- 11.86 11.86 

Group 1 >C< 4.50 4.50 

Group 2 #C- 32.99 65.98 

Group 1 -0- (nonring) 25.16 25.16 

Group 1 -OH (primary) 88.46 88.46 

Group 1 -OH (secondary) 80.63 80.63 

Group 3 -Cl (tertiary) 36.23 I 108.69 

* I I Equation Constant I 198.18 

=============+====================+==========+========= 

RESULT-uncorrl BOILING POINT in deg Kelvin 631.90 

RESULT- corr I BOILING POINT in deg Kelvin 581.81 

I BOILING POINT in deg C I 308.65 

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

TYPE I NUM I MELT DESCRIPTION COEFF VALUE 

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

Group 2 -CH2- 11.27 22.54 

Group 1 >CH- 12.64 12.64 

Group 1 >C< 46.43 46.43 

Group 2 #C- 64.32 128.64 

Group 1 -0- (nonring) 22.23 22.23 

Group 1 -OH (primary) 44.45 44.45 

Group 1 -OH (secondary) 44.45 44.45 

Group 3 -Cl (tertiary) 13.55 I 40.65 

* 1 I Equation Constant I 122.50 
lntertek Expert Services 

Toxicology and Environmental Assessments Group 

=============+====================+==========+========= 

RESULT I MELTING POINT in deg Kelvin 484.53 

I MELTING POINT in deg C I 211.37 

Water Sol from Kow (WSKOW vl.41) Results: 

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

Water Sol: 2.515e+004 mg/L 

~ ~--------------------------------- J 

WSKOW vl.41 Results -----------------

Log Kow (estimated) 0.07 

Log Kow (experimental): not available from database 

Log Kow used by Water solubility estimates: 0.07 

Equation Used to Make Water Sol estimate: 

LogS (mol/L) = 0.796- 0.854 log Kow- 0.00728 MW +Correction 

(used when Melting Point NOT available) 

Correction(s): Value 

No Applicable Correction Factors 

Log Water Solubility (in moles/L) -0.968 

Water Solubility at 25 deg C (mg/L): 2.515e+004 

WATERNT Program (vl.Ol) Results: 

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

Water Sol (vl.Ol est): le+006 mg/L 

~· TYPE 

-------+-----+---------------------~--------------------+----------+------- I NUM I WATER SOLUBILITY FRAGMENT DESCRIPTION COEFF VALUE 

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

Frag 2 -CH2- [aliphatic carbon] 1-0.5370 -1.0740 

Frag 1 -CH [aliphatic carbon] 1-0.5285 -0.5285 

Frag 1 C [aliphatic carbon - No H, not tert] 1-1.0516 -1.0516 

Frag 2 oC [acetylenic carbon] 1-0.2829 -0.5659 

Frag 2 -OH [hydroxy, aliphatic attach] I 1.6012 3.2025 

Frag 1 -0- [oxygen, aliphatic attach] I 1.2746 1.2746 

Frag 3 -CL [chlorine, aliphatic attach] 1-0.2872 -0.8616 

Canst Equation Constant I 0.2492 

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

NOTE Maximum Solubility (1,000,000 mg/L) Applied! 

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

Log Water Sol (moles/L) at 25 dec C 0.6318 

Water Solubility (mg/L) at 25 dec C le+006 
[ 

[ 

fntertek Expert Services 

Toxicology and Environmental Assessments Group 

ECOSAR Program (vl.OO) Results: 

ChemiDl: l 

ChemiD2: 

ChemTn1: 

Me.Lt: J I:"L: 

Wat Sol: 2.515E+004 mg/L (WskowWin estimate) 

ECOSAR vl.OO Class(es) Found 

Propargyl Alcohols 

Propargyl Ethers 

Halo Ethers 

Halo ·Alcohols 

Predicted 

ECOSAR Class Organism Duration End Pt 

(ppm) 

=========================== ================== ======== ====== Propargyl Alcohols 

Propargyl Alcohols 

Propargyl Alcohols 

Propargyl Alcohols 

Propargyl Alcohols 

Propargyl Alcohols 

Propargyl Ethers 

Propargyl Ethers 

Propargyl Ethers 

Propargyl Ethers 

Propargyl Ethers 

Propargyl Ethers 

Halo Ethers 

Halo Ethers 

Halo Ethers 

Halo Ethers 

Halo Alcohols 

Halo Alcohols 

Halo Alcohols 

Halo Alcohols 

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

Neutral Organic SAR 

7655.418 

(Baseline Toxicity) 

3500.267 

Green Algae 

Fish 

Daphnid 

Green Algae 

96-hr 

Fish 

Daphnid 

Green Algae 

Fish 

Daphnid 

Green Algae 

Fish 

Daphnid 

Green Algae 

Fish 

Daphnid 

Green Algae 

Fish 

Daphnid 

Fish 

Daphnid 

Fish 

Green Algae 

Fish 

Green Algae 

Fish 

Daphnid 

EC50 

ChV 

ChV 

ChV 

684.933 

758.315 

230.014 

174.417 

96-hr 

48-hr 

96-hr 

96-hr 

48-hr 

96-hr 

21-day 

96-hr 

48-hr 

96-hr 

96-hr 

96-hr 

48-hr 

LC50 

LC50 

EC50 

ChV 

ChV 

ChV 

LC50 

LC50 

EC50 

ChV 

ChV 

ChV 

LC50 

LC50 

ChV 

ChV 

LC50 

EC50 

ChV 

ChV 

LC50 

LC50 

mg/L 

26.177 

30.554 

684.933 

23.188 

2.461 

91.496 

552.442 

16926.512 

1743.675 

53.951 

6.655 

446.457 

838.767 

173.222 

81.901 

15.240 

356.171 

0.104 

107.493 

0.069 
Intertek Expert Services 

Toxicology and Environmental Assessments Group 

Note: * = asterisk designates: Chemical may not be soluble 

enough to measure this predicted effect. 

Note: ! = exclamation designates: The toxicity value was determined 

from 

a predicted SAR using established acute-to-chronic ratios and ECOSAR 

regression techniques which are documented in the supporting Technical 

Reference Manual. When possible, this toxicity value should be 

considered in a weight of evidence approach. 

Propargyl Alcohols: 

For Fish and Daphnid Acute Toxicity Values: If the log Kow of the 

chemical 

is greater than 5.0, or if the compound is solid and the LC50 exceeds 

the 

water solubility by lOX, no effects at saturation are predicted for 

these 

endpoints. 

For Green Algae Acute Toxicity Values: If the log Kow of the chemical is 

greater than 6.4, or if the compound is solid and the EC50 exceeds the 

water 

solubility by lOX, no effects at saturation are predicted for these 

endpoints. 

For All Chronic Toxicity Values: If the log Kow of the chemical is 

greater 

than 8.0, or if the compound is solid and the ChV exceeds the water 

solubility 

by lOX, no effects at saturation are predicted for these endpoints. 

ECOSAR vl.OO SAR Limitations: 

Maximum LogKow: 5.0 (LC50) 

Maximum LogKow: 6.4 (EC50) 

Maximum LogKow: 8.0 (ChV) 

Maximum Mol Wt: 1000 

Propargyl Ethers: 

For Fish and Daphnid Acute Toxicity Values: If the log Kow of the 

chemical 

is greater than 5.0, or if the compound is solid and the LC50 exceeds 

the 

water solubility by lOX, no effects at saturation are predicted for 

these 

endpoints. 

For Green Algae Acute Toxicity Values: If the log Kow of the chemical is 

greater than 6.4, or if the compound is solid and the EC50 exceeds the 

water 

solubility by lOX, no effects at saturation are predicted for these 

endpoints. 

For All Chronic Toxicity Values: If the log Kow of the chemical is 

greater 

than 8.0, or if the compound is solid and the ChV exceeds the water 

solubility 

by lOX, no effects at saturation are predicted for these endpoints. 

I 
[ntertek Expert Services 

Toxicology and Environmental Assessments Group 

ECOSAR vl.OO SAR Limitations: 

Maximum LogKow: 5.0 (LC50) 

Maximum LogKow: 6.4 (EC50) 

Maximum LogKow: 8.0 (ChV) 

Maximum Mol Wt: 1000 

Halo Ethers 

For Fish and Daphnid Acute Toxicity Values: If the log Kow of the 

chemical 

is greater than 5.0, or if the compound is solid and the LC50 exceeds 

the 

water solubility by lOX, no effects at saturation are predicted for 

these 

endpoints. 

For Green Algae Acute Toxicity Values: If the log Kow of the chemical is 

greater than 6.4, or if the compound is solid and the EC50 exceeds the 

water 

solubility by lOX, no effects at saturation are predicted for these 

endpoints. 

For All Chronic Toxicity Values: If the log Kow of the chemical is 

greater 

than 8.0, or if the compound is solid and the ChV exceeds the water 

solubility 

by lOX, no effects at saturation are predicted for these endpoints. 

ECOSAR vl.OO SAR Limitations: 

Maximum LogKow: 5.0 (LC50) 

Maximum LogKow: 6.4 (EC50) 

Maximum LogKow: 8.0 (ChV) 

Maximum Mol Wt: 1000 

Halo Alcohols : 

For Fish and Daphnid Acute Toxicity Values: If the log Kow of the 

chemical 

is greater than 5.0, or if the compound is solid and the LC50 exceeds 

the 

water solubility by lOX, no effects at saturation are predicted for 

these 

endpoints. 

For Green Algae Acute Toxicity Values: If the log Kow of the chemical is 

greater than 6.4, or if the compound is solid and the EC50 exceeds the 

water 

solubility by lOX, no effects at saturation are predicted for these 

endpoints. 

For All Chronic Toxicity Values: If the log Kow of the chemical is 

greater 

than 8.0, or if the compound is solid and the ChV exceeds the water 

solubility 

by lOX, no effects at saturation are predicted for these endpoints. 

ECOSAR vl.OO SAR Limitations: 

Maximum LogKow: 5.0 (LC50) 
lntertek Expert Services 

Toxicology and Environmental Assessments Group 

Maximum LogKow: 6.4 (EC50) 

Maximum LogKow: 8.0 (ChV) 

Maximum Mol Wt: 1000 

Baseline Toxicity SAR Limitations: 

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

Maximum LogKow: 6.4 (Green Algae EC50) 

Maximum LogKow: 8.0 (ChV) 

Maximum Mol Wt: 1000 

HENRYWIN (v3.20) Program Results: 

Bond Est : 9.77E-012 atm-m3/mole (9.90E-007 Pa-m3/mole) 

Group Est: Incomplete 

l 

HENRYWIN v3.20 Results ---------------------

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

CLASS BOND CONTRIBUTION DESCRIPTION I COMMENT I VALUE 

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

HYDROGEN I 5 Hydrogen to Carbon (aliphatic) Bonds -0.5984 

HYDROGEN I 2 Hydrogen to Oxygen Bonds 6.4635 

FRAGMENT I 1 C-C 0.1163 

FRAGMENT I 4 C-0 4.3419 

FRAGMENT I 2 C-Ct 1.0750 

FRAGMENT I 3 C-CL 1.0004 

FRAGMENT I 1 CifC 0. 0000 

FACTOR I 1 Additional aliphatic alcohol -OH(s) -3.0000 

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

RESULT I BOND ESTIMATION METHOD for LWAPC VALUE I TOTAL I 9.399 

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

HENRYs LAW CONSTANT at 25 deg C = 9.77E-012 atm-m3/mole 

3.99E-010 unitless 

= 9.90E-007 Pa-m3/mole 

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

1 GROUP CONTRIBUTION DESCRIPTION I COMMENT VALUE 

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

1 CH (C) (0) (0) -1.35 

1 C (C) (CL) (CL) (CL) 0. 80 

2 Ct (C) 1.92 

2 0-H (C) 8.90 

1 0 (C) (C) 2.93 

MISSING Value for: CH2 (Ct) (0) 

MISSING Value for: CH2 (0) (Ct) 

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

RESULT I GROUP ESTIMATION METHOD for LOG GAMMA VALUE I INCOMPLETE I 13.20 

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

For Henry LC Comparison Purposes: 

Exper Database: none available 

I' 
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User-Entered Henry LC: not entered 

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values): 

HLC: 8.783E-011 atm-m3/mole (8.899E-006 Pa-m3/mole) 

VP: 7.19E-006 mm Hg (source: MPBPVP) 

WS: 2.52E+004 mg/1 (source: WSKOWWIN) 

Log Octanol-Air (KOAWIN vl.lO) Results: 

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

Log Koa: 9.469 r, 

KOAWIN vl.lO Results -----------------------

[ 

Log Koa (octanol/air) estimate: 9.469 

Koa (octanol/air) estimate: 2.941e+009 

Using: 

Log Kow: 

HenryLC: 

Log Kaw: 

LogKow 

LogKow 

Henry LC: 

Henry LC: 

0.07 (KowWin est) 

9.77e-012 atm-m3/mole (HenryWin est) 

-9.399 (air/water part.coef.) 

(exp database) 

0.07 (KowWin estimate) 

--- atm-m3/mole(exp database) 

9.77e-012 atm-m3/mole (HenryWin bond estimate) 

Log Koa (octanol/air) estimate: 9.469 (from KowWin/HenryWin) 

BIOWIN (v4.10) Program Results: 

============================== l --------------------·------ BIOWIN v4.10 Results -----------------------

Biowinl (Linear Model Prediction) Does Not Biodegrade ~ast 

Biowin2 (Non-Linear Model Prediction): Does Not Biodegrade Fast 

Biowin3 (Ultimate Biodegradation Timeframe): Weeks-Months 

Biowin4 (Primary Biodegradation Timeframe): Days-Weeks 

Biowin5 (MITI Linear Model Prediction) Does Not Biodegrade Fast 

Biowin6 (MITI Non-Linear Model Prediction) : Does Not Biodegrade Fast 

Biowin7 (Anaerobic Model Prediction): Does Not Biodegrade Fast 

Ready Biodegradability Prediction: NO 

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

TYPE I NUM I Biowinl FRAGMENT DESCRIPTION COEFF VALUE 

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

Frag 2 Aliphatic alcohol [-OH) I 0.1587 I 0.3175 

Frag 1 3 Aliphatic chloride (-CL] I -0.1114 I -0.3342 
(_ 

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Frag I 

Frag I 

MolWtl 

Constl 

1 

1 

* 

* 

Carbon with 4 single bonds & no hydrogens 

Aliphatic ether [C-0-C) 

Molecular Weight Parameter 

Equation Constant 

-0.1839 -0.1839 

-0.3474 -0.3474 

-0.1112 

0.7475 

============+============================================+=========+========= 

RESULT Biowinl (Linear Biodeg Probability) 0.0884 

============+============================================+=========+========= 

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

TYPE I NUM I Biowin2 FRAGMENT DESCRIPTION COEFF VALUE 

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

Frag 1 2 Aliphatic alcohol [-OH) 1.1178 2.2356 

Frag I 3 Aliphatic chloride [-CL) -1.8528 -5.5584 

Frag I 1 Carbon with 4 single bonds & no hydrogens -1.7232 -1.7232 

Frag I 1 Aliphatic ether [C-0-C] -3.4294 -3.4294 

MolWtl * Molecular Weight Parameter -3.3154 

======~=====+======================~=====================+=========+========= 

RESULT Biowin2 (Non-Linear Biodeg Probability) 0.0002 

============+======================~=====================+=========+========= 

A Probability Greater Than or Equal to 0.5 indicates --> Biodegrades Fast 

A Probability Less Than 0.5 indicates --> Does NOT Biodegrade Fast 

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

TYPE I NUM I Biowin3 FRAGMENT DESCRIPTION COEFF VALUE 

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

Frag I 2 I Aliphatic alcohol [-OH) I 0.1600 I 0.3199 

Frag I 3 I Aliphatic chloride [-CL) I -0.1732 I -0.5195 

Frag I 1 I Carbon with 4 single bonds & no hydrogens I -0.2121 I -0.2121 

Frag I 1 I Aliphatic ether [C-0-C) I -0.0087 I -0.0087 

MolWtl * I Molecular Weight Parameter I I -0.5160 

Constl * I Equation Constant I I 3.1992 

============+============================================+=========+========= 

RESULT Biowin3 (Survey Model - Ultimate Biodeg) 2.2628 

============+============================================+=========+========= 

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

TYPE I NUM I Biowin4 FRAGMENT DESCRIPTION COEFF VALUE 

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

Frag I 2 Aliphatic alcohol [-OH] 0.1294 0.2589 

Frag 1 3 Aliphatic chloride [-CL] -0.1006 -0.3018 

Frag I 1 Carbon with 4 single bonds & no hydrogens -0.1534 -0.1534 

Frag I 1 Aliphatic ether [C-0-C) -0.0097 -0.0097 

MolWtl * Molecular Weight Parameter -0.3369 

Constl * Equation Constant 3.8477 

============+============================================+=========+========= 

RESULT Biowin4 (Survey Model - Primary Biodeg) 3.3048 

============+============================================+=========+========= 

Result Classification: 5.00 -> hours 

(Primary & Ultimate) 2.00 ->months 

4.00 -> days 

1.00 -> longer 

3.00 -> weeks 

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

TYPE I NUM I Biowin5 FRAGMENT DESCRIPTION COEFF VALUE 

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

Frag 2 Aliphatic alcohol [-OH) 0.1611 0.3223 

Frag 3 Aliphatic chloride [-CL] 0.0011 0.0033 

Frag 1 Carbon with 4 single bonds & no hydrogens 0.0676 0.0676 

Frag 1 Aliphatic ether [C-0-C] 0.0015 0.0015 

Frag 2 -CH2- [linear] 0.0494 0.0988 

Frag 1 -CH- [linear] -0.0507 -0.0507 
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MolWtl 

Constl 

* 

* 

Molecular Weight Parameter 

Equation Constant 

I -0.6946 

I 0.7121 

============+============================================+=========+========= 

RESULT Biowin5 (MITI Linear Biodeg Probability) 0.4603 

============+============================================+=========+========= 

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

TYPE I NUM I Biowin6 FRAGMENT DESCRIPTION COEFF VALUE 

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

Frag 2 Aliphatic alcohol [-OH] 1.0041 2.0083 

Frag 3 Aliphatic chloride [-CL] -0.6391 -1.9174 

Frag 1 Carbon with 4 single bonds & no hydrogens 0.3990 0.3990 

Frag 1 Aliphatic ether [C-0-C] -0.1071 -0.1071 

Frag 2 -CH2- [linear] 0.4295 0.8590 

Frag 1 1 -CH- [linear] -0.0998 -0.0998 

MolWtl * Molecular Weight Parameter -6.7403 

============+============================================+=========+========= 

RESULT IBiowin6 (MITI Non-Linear Biodeg Probability) I 0.0442 

============+============================================+=========+========= 

A Probability Greater Than or Equal to 0.5 indicates --> Readily 

Degradable 

A Probability Less Than 0.5 indicates --> NOT Readily Degradable 

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

TYPE I NUM I Biowin7 FRAGMENT DESCRIPTION I COEFF I VALUE 

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

Frag 2 Aliphatic alcohol [-OH] 0.1328 0.2655 

Frag 3 Aliphatic chloride [-CL] -0.0147 -0.0440 

Frag 1 Carbon with 4 single bonds & no hydrogens -0.3342 -0.3342 

Frag 1 Aliphatic ether [C-0-C] -0.2573 -0.2573 

Frag I 2 -CH2- [linear] 0.0260 

0.0520 

Frag I 1 

0.1659 

Constl 

0.8361 

* 

-CH- [linear] -0.1659 I -

Equation Constant 

============+============================================+=========+==== 

RESULT Biowin7 (Anaerobic Linear Biodeg Prob) 

0.3523 

============+============================================+=========+==== 

A Probability Greater Than or Equal to 0.5 indicates --> Biodegrades 

Fast 

A Probability Less Than 0.5 indicates --> Does NOT Biodegrade Fast 

Ready Biodegradability Prediction: (YES or NO) 

Criteria for the YES or NO prediction: If the Biowin3 (ultimate survey 

model) result is "weeks" or faster (i.e. "days", "days to weeks", or 

"weeks" AND the Biowin5 (MITI linear model) probability is >= 0.5, then 

the prediction is YES (readily biodegradable). If this condition is not 

satisfied, the prediction is NO (not readily biodegradable). This 

method 

is based on application of Bayesian analysis to ready biodegradation 

data 

(see Help). Biowin5 and 6 also predict ready biodegradability, but for 

degradation in the OECD301C test only; using data from the Chemicals 

Evaluation and Research Institute Japan (CERIJ) database. 

I ·- ... - , ~___,.,., 
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BioHCwin (v1.01) Program Results: 

l -------------------------- BioHCwin v1.01 Results ----------------------

NO Estimate Possible ... Structure NOT a Hydrocarbon 

(Contains atoms other than C, H or S (-S-)) 

AEROWIN Program (v1.00) Results: 

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

Sorption to aerosols (25 Dec C) [AEROWIN v1.00]: 

Vapor pressure (liquid/subcooled): 0.00549 Pa (4.12E-005 mm Hg) 

Log Koa (Koawin est ): 9.469 

Kp (particle/gas partition coef. (m3/ug)): 

Mackay model 0.000546 

Octanol/air (Koa) model: 0.000723 

Fraction sorbed to airborne particulates (phi): 

Junge-Pankow model 0.0193 

Mackay model 0.0419 

Octanol/air (Koa) model: 0.0547 

AOP Program (v1.92) Results: 

Hydrogen Abstraction 

Reaction with N, S and -OH 

Addition to Triple Bonds 

Addition to Olefinic Bonds 

Addition to Aromatic Rings 

Addition to Fused Rings 

J 

(AOP v1.92): HYDROXYL RADICALS (25 deg C) --

7.0609 E-12 cm3/molecule-sec 

0.2800 E-12 cm3/molecule-sec 

27.0000 E-12 cm3/molecule-sec 

0.0000 E-12 cm3/molecule-sec 

0.0000 E-12 cm3/molecule-sec 

0.0000 E-12 cm3/molecule-sec 

OVERALL OH Rate Constant 34.3409 E-12 cm3/molecule-sec 

HALF-LIFE = 0.311 Days (12-hr day; 1.5E6 OH/cm3) 

HALF-LIFE= 3.738 Hrs 

-------------------SUMMARY (AOP v1.91): OZONE REACTION (25 deg C) 

OVERALL OZONE Rate Constant 0.003000 E-17 cm3/molecule-sec 

HALF-LIFE = 382.000 Days (at 7E11 mol/cm3) 

Experimental Database: NO Structure Matches 

Fraction sorbed to airborne particulates (phi): 

0.0306 (Junge~Pankow, Mackay avg) 

0.0547 (Koa method) 

Note: the sorbed fraction may be resistant to atmospheric oxidation 
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KOCWIN Program (v2.00) Results: 

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

~--------------------------- KOCWIN v2.00 Results 

[ 

Koc Estimate from MCI: 

First Order Molecular Connectivity Index ...•....... 

Non-Corrected Log Koc (0.5213 MCI + 0.60) 

Fragment Correction(s): 

2 Aliphatic Alcohol (-C-OH) .........•. : -2.6358 

1 Ether, aliphatic (-C-0-C-) .......... : -0.8716 

Corrected Log Koc ................................. . 

Over Correction Adjustment to Lower Limit Log Koc ... : 

Estimated Koc: 10 L/kg 

Koc Estimate from Log Kow: 

Log Kow (Kowwin estimate) ........................ . 

Non-Corrected Log Koc (0.55313 1ogKow + 0.9251) 

Fragment Correction(s): 

2 Aliphatic Alcohol (-C-OH) ........... : -0.8229 

1 Ether, aliphatic (-C-0-C-) .......... : -0.0906 

Corrected Log Koc ..............•................... 

Estimated Koc: 1.123 L/kg 

HYDROWIN Program (v2.00) Results: 

·~===~~=~===================~~== l 

5.481 

3. 4572 

-0.0502 

1. 0000 

0.07 

0.9638 

0.0503 

--------------------------- HYDROWIN v2.00 Results ---------------------

Currently, this program can NOT estimate a hydrolysis rate constant for 

the type of chemical structure entered!! 

ONLY Esters, Carbamates, Epoxides, Halomethanes (containing 1-3 

halogens), 

Specific Alkyl Halides & Phosphorus Esters can be estimated!! 

When present, various hydrolyzable compound-types will be identified. 

For more information, (Click OVERVIEW in Help or see the User's Guide) 

***** CALCULATION NOT PERFORMED ***** 

BCFBAF Program (v3.00) Results: 
'· 

[ 

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· .lr~s l 

BCFBAF v3.00 -------------------------

Summary Results: 

Log BCF (regression-based estimate): 

Biotransformation Half-Life (days) : 

Log BAF (Arnot-Gobas upper trophic): 

0.50 (BCF = 3.16 L/kg wet-wt) 

0.0241 (normalized to 10 g fish) 

-0.02 (BAF = 0.955 L/kg wet-wt) 

Log Kow (experimental): not available from database 

Log Kow used by BCF estimates: 0.07 

Equation Used to Make BCF estimate: 

Log BCF =- 0.50 

Correction(s): Value 

Correction Factors Not Used for Log Kow < 1 

Estimated Log BCF =- 0.500 (BCF = 3.162 L/kg wet-wt) 

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

Whole Body Primary Biotransformation Rate Estimate for Fish: 

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

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

TYPE I NUM I LOG BIOTRANSFORMATION FRAGMENT DESCRIPTION I COEFF VALUE 

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

Frag 2 Aliphatic alcohol [-OH] -0.0616 -0.1231 

Frag 3 Aliphatic chloride [-CL] 0.3608 1.0823 

Frag 1 Carbon with 4 single bonds & no hydrogens -0.2984 -0.2984 

Frag 1 Aliphatic ether [C-0-C] -0.0232 -0.0232 

Frag 2 -CH2- [linear] 0.0242 0.0484 

Frag 1 -CH- [linear] -0.1912 -0.1912 

L Kowl * Log Kow = 0.07 (KowWin estimate) 0.3073 0.0230 

MolWtl * Molecular Weight Parameter -0.5987 

Constl * Equation Constant -1.5058 

============+============================================+=========+========= 

RESULT LOG Bio Half-Life (days) I I -1.6181 

RESULT Bio Half-Life (days) I I 0. 02409 

NOTE Bio Half-Life Normalized to 10 g fish at 15 deg C 1 

============+============================================+=========+========= 

Biotransformation Rate Constant: 

kM (Rate Constant): 28.77 /day (10 gram fish) 

kM (Rate Constant): 16.18 /day (100 gram fish) 

kM (Rate Constant): 9.098 /day (1 kg fish) 

kM (Rate Constant): 5.116 /day (10 kg fish) 

Arnot-Gobas BCF & BAF Methods (including biotransformation 

estimates): 

Estimated Log BCF (upper trophic) -0.020 (BCF 0.955 

Estimated Log BAF (upper trophic) -0.020 (BAF 0.955 

Estimated Log BCF (mid trophic) -0.006 (BCF 0.9862 

Estimated Log BAF (mid trophic) -0.006 (BAF 0.9862 

Estimated Log BCF (lower trophic) -0.004 (BCF 0.9914 

Estimated Log BAF (lower trophic) -0.004 (BAF 0.9914 

rate 

L/kg wet-wt) 

L/kg wet-wt) 

L/kg wet-wt) 

L/kg wet-wt) 

L/kg wet-wt) 

L/kg wet-wt) 

Arnot-Gobas BCF & BAF Methods (assuming a biotransformation rate of 

zero): 
( 

( 

\ 

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Estimated Log BCF (upper trophic) 

Estimated Log BAF (upper trophic) 

0.009 (BCF 

0.009 (BAF 

1.02 L/kg wet-wt) 

1.022 L/kg wet-wt) 

Volatilization From Water 

Chemical Name: 

Molecular Weight 233.48 g/mole 

Water Solubility 

Vapor Pressure 

Henry's Law Constant: 9.77E-012 atm-m3/mole (estimated by Bond SAR 

Method) 

RIVER LAKE 

Water Depth (meters): 1 

5 

1 

Wind Velocity (m/sec): 

Current Velocity (m/sec): 

HALF-LIFE (hours) 

HALF-LIFE (days ) 

HALF-LIFE (years) 

9.157E+007 

3.815E+006 

1.045E+004 

1 

0.5 

0.05 

9.989E+008 

4.162E+007 

1.14E+005 

STP Fugacity Model: Predicted Fate in a Wastewater Treatment Facility 

(using Biowin/EPA draft method) 

PROPERTIES OF: 

Molecular weight (g/mol) 

Aqueous solubility (mg/1) 

Vapour pressure (Pa) 

(atm) 

(mm Hg) 

0 

0 

Henry 's law constant (Atm-m3/mol) 

Air-water partition coefficient 

Octanol-water partition coefficient (Kow) 

Log Kow 

Biomass to water partition coefficient 

Temperature [deg C) 

233.48 

0 

0 

9.77E-012 

3.99564E-010 

1.1749 

0.07 

1. 03498 

25 

Biodeg rate constants (hA-l),half life in biomass (h) and in 2000 mg/L 

MLSS (h): 

-Primary tank 

-Aeration tank 

-Settling tank 

1.12 

11.18 

11.18 

0.62 

0.06 

0.06 

STP Overall Chemical Mass Balance: 

g/h 

Influent 

Primary sludge 

Waste sludge 

mol/h 

Primary volatilization 

Settling volatilization 

percent 

l.OOE+OOl 

2.51E-002 

1.20E-001 

5.30E-009 

1.15E-008 

300.00 

30.00 

30.00 

4.3E-002 

l.lE-004 

5.1E-004 

2. 3E-011 

4. 9E-011 

100.00 

0.25 

1.20 

0.00 

0.00 
c 

c 

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Aeration off gas 2.87E-008 

Primary biodegradation 5.83E-002 

Settling biodegradation 1.40E-001 

Aeration biodegradation 1.86E+000 

Final water effluent 7.80E+000 

Total removal 2.20E+000 

Total biodegradation 2.05E+000 

Level III Fugacity Model (Full-Output): 

Chern Name 

Molecular Wt: 233.48 

1.2E-010 

2.5E-004 

6.0E-004 

7.9E-003 

3.3E-002 

9.4E-003 

8.8E-003 

Henry's LC 

Vapor Press 

Liquid VP 

Melting Pt 

Log Kow 

Soil Koc 

9.77e-012 atm-m3/mole (Henrywin program) 

7.19e-006 mm Hg (Mpbpwin program) 

4.22e-005 mm Hg (super-cooled) 

103 deg C (Mpbpwin program) 

0.07 (Kowwin program) 

10 (KOCWIN MCI method) 

Mass Amount Half-Life Emissions 

(percent) (hr) (kg/hr) 

Air 0. 000118 7.47 

Water 35 900 

Soil 64.9 1.8e+003 

Sediment 0.0835 8.1e+003 

Fugacity Reaction Advection 

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

Air 4.18e-015 0.379 

Water 2.53e-016 930 

Soil 9.64e-015 862 

Sediment 2.43e-016 0.247 

Persistence Time: 

Reaction Time: 

Advection Time: 

Percent Reacted: 

1.15e+003 hr 

1.92e+003 hr 

2.86e+003 hr 

59.8 

Percent Advected: 40.2 

1000 

1000 

1000 

0 

Reaction 

(percent) 

0.0408 

1.21e+003 

0 

0.0576 

Advection 

(percent) 

0.0126 

31 

28.7 

0.00822 

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

Air: 7.47 

Water: 900 

Soil: 1800 

Sediment: 8100 

Biowin estimate: 2.263 (weeks-months) 

Advection Times (hr): 

Air: 100 

Water: 1000 

Sediment: 5e+004 

0.00 

0.58 

1. 40 

18.56 

78.02 

21.98 

20.54 

0.00136 

40.2 

0 

0.00192