Form Approved . O.M.B . No. 2070-0012 . A roval Exp ires 10-31-96. 

U.S. ENVIRONMENTAL PROTECTION AGENCY AGENCY USE ONLY 

'~~"EPA PREMANUFACTURE 

NOTICE 

in the Premanufacture Notice 

. 

. 

You must provide all infc 

not have actual data. 

/ 

Sanitized Copy 

Company Sanitized 

0! r- r' 

6: 07 

" tterore ou com lete - this form h Id d th "In 

~tts urgh, PA 15251-6399, Attn. TSCA User fee. 

Y p 1'0 s ou rea e struct~ons 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, which is sent to EPA, HQ Accounting Operations Branch (PM-226), P.O. 360399M, j P b 

Part I- 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. 

You must submit an original and two copies of this notice including all test data . If you 

claimed any information as confidential, a single 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 III-LIST OF ATTACHMENTS 

Attach additional sheets if there is not enough space to answer a question fully. Label each 

continuation sheet with the corresponding section heading. In Part III, 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 described 

pollution prevention and recycling information you may have regarding the new substance. 

So-called "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 . . . This option is intended to reduce delays that 

routinely accompany the development of consent orders or Significant New Use Rules. 

Except in the case of exemption applications (such as TMEA, LVE, LOREX) where 

certain information provided in such notification is binding on the submitter when the 

Agency approves the exemption application, checking a binding box in this notice doe s not by itself prohibit the submitter from later deviating from the information (except chemical 

identity) reported in the form . 

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 confidentiat You must also provide 

a_ sanitized version of the notice (including ttachments). For additional instructions on 

claiming information as confidential, read the Instructions Manual . 

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

TEST DATA AND OTHER DATA 

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 anoear 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 ofthe Premanufacture Notification Rule (40 CFR 

Part 720) . 

Test Data (Check Below any included in this notice) 

" Environmental fate data D Yes - Other data ~ Yes 

- Health effects data El Yes " Risk assessments F-]Yes 

" Environmental effects data ~ Yes 

" Physical/Chemical Properties' ® Yes 

Structure/activity relationships 

Test data not in the possession 

or control of the submitter 

' A physical and chemical properties worksheet is located on the last page of this form . 

TYPE OF NOTICE (Check Only One) 

® 

to or reasonably ascertainable 

Ts-uuuuu 

by you. Make reasonable estimates ifyou do 

u 

PMN (Premanufacture Notice) 

IN1ERMEDIATE PMN (submitted in sequence with final product PMN) 

SNUN (Significant New Use Notice) 

TMEA (Test Marketing Exemption Application) ' 

LVE (Low Volume Exemption) © 40 CFR 723.50®(l) - 

LOREX (Low Release/Low Exposure Exemption) rr 40 CFR 723.50®(2) 

LVE Modification 

IS THIS A CONSOLIDATED PMN? 

# of chemicals 

LOREX Modification 

Yes 

(Prenotice Communication # required, enter # on page 3) 

EPA FORM 7710-25 (Rev. 5-95) 31,583 ~ 
n_ 2 

Public reporting burden for this collection of information is estimated to average 110 hours per response, including time for reviewing 

instructions, searching existing data sources, gathering and maintaining the data needed, and completing and reviewing the collection of ` 

information. Send comments regarding the burden estimate or any other aspect of this collection of information, including suggestions for 

reducing this burden, to Chief, Information Policy Branch, PM-223, U.S . Environmental Protection Agency, 401 M. St., S.W., Washington, D.C . 

20460; and to the Office of Management and Budget, Paperwork Reduction Act (2070-0012), Washington, D.C . 20503. 

CERTIFICATION 

I certify that to the best of 1'rlq`knowledgs an* 

1 . The company named in Part I, section A, subsection la of this notice form intends to manufacture or import 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: 

® The Company named in Part 1, Section A has remitted the fee of $2500 specified in 40 CFR 700.45(b), or 

0 The Company named in Part 1, 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 

0 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©(1) or a Low release 

and low exposure exemption (LoRex) application in accordance with 40 CFR 723.50©(2), check the following certification 

statements : 

r] 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. 

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

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

~ If this application is for an LVE in accordance with 40 CFR 723.50C(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. An knowing and willful misinterpretation is subject to criminal penal ty pursuant to 18 USC 1001 . Confidential 

Signature and title of Au ~cial (Original Signature R ) Date 

Y-7 'Dec_ 2002 

Signature of agent - (if applicable) Date 

EPA FORM 7710-25 (Rev . 5-95) Page 2 
Section A -- SUBNIITTER IDENTIFICATION 

Part I -- GENERAL INFORMATION 

Mark Q the Confiaenttar' box next to an subsection ou claim as confidential dential 

la. Person Name of authorized official Position 

Submitting 

Notice (in U.S .) David R. Ha PhD. Re ulato Com liance Director 

Company 

Huntsman Corporation 

Mailing address (number and street) - 

8600 Gosling Road 

City, State, ZIP Code 

The Woodlands TX 77381 _ 

b. Agent (if Name of authorized official Position 

applicable) 

Company 

Mailing address (number and street) 

City, State, ZIP Code Telephone Area Code Number 

c . If you are submitting this notice as part of a joint submission, mark (X) this box. 

Joint Submitter (if Name of authorized official Position 

applicable) 

Company 

Mailing address (number and street) 

City, State, ZIP Code Telephone Area Code Number 

2. Technical Name of authorized official Position 

Contact (in 

U.S.) David R. Ha PhD. Regulatory Compliance Director 

Company 

Huntsman Corporation 

Mailing address (number and street) 

_ 

8600 Gosling Road 

City, State, ZIP Code Telephone Area Code Number 

The Woodlands, TX 77381 281 719-3026 

3. If you have had a prenotice communication (PC) concerning this notice and 

EPA assigned a PC Number to the notice, enter the number. Mark (X) -i ® 

if none 

4. If you previously submitted an exemption application for the chemical 

substance covered by this notice, enter the exemption number assigned by 

EPA. If you previously submitted a PMN for this Mark (X) ----i substance enter the PMN ® 

number assigned by EPA (i .e. withdrawn or incomplete). -- 

if none 

5. If you have submitted a notice of Bona fide intent to manufacture or import _ 

for the chemical substance covered by this notice, enter the notice number 

assigned by EPA. - 

Mark (X) ---i ® 

if none 

6 . Type of Notice - Mark (3t) 1 . Manufacture 2. Import 

Only Only 3 . ~ Both 

Binding Option ~ Bindin g Option 

Mark (X) Mark (X) 

EPA FORM 7710-25 (Rev. 5-95) Page 3 

3 

Confi- 
p. 4 

Part I -- GENERAL INFORMATION -- Continued ` 

Section B -- CHEMICAL IDENTITY INFORNIATION" You must provide a currently correct Chemical Abstracts (CA) name of the substance based on 

the ninth Collective Index 9CI) of CA nomenclature rules and conventions . 

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

Complete either item 1 (Class 1 or 2 substances) or 2 (Polymers) as appropriate. Complete all other items . 

If another person will submit chemical identity information for you (for either Item I or 2), mark (X) the box at the right. ConfiIdenti the name, compan y, and address of that person in a continuation sheet. 0 dential 

1 . Class 1 or 2 chemical substances (for definitions of class 1 and class 2 substances, see the Instructions Manual) 

a. Class of substance - Mark (X) I [] Class I or 2 ® Class 2 

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

For Class I substances a CA Index Name must be provided . For Class 2 substances either a CA Index Name or CA Preferred Name must 

be provided, which ever is appropriate based on CA 9CI nomenclature rules and conventions) . 

Soybean oil, epoxidized, reaction products with diethanolamine 

c. Please identify which method you used to develop or obtain the specified chemical identity information reported in this notice : (check 

one) . 

® Method I (CAS Inventory Expert Service - a copy of the Identification ~ Method 2 (Other Source) 

]a 

report obtained from the CAS Inventory Expert Services must be 

submitted as an attachment to this notice) 

d. Molecular formula and CAS Registry Number (if a number already exists for the substance) 

CASa 1002761-12-7 (See Attachment 3) 

e. For a class 1 substance, provide a complete and correct chemical structure diagram. 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). (4) Provide a correct representative or partial chemical structure 

diagram, as complete as can be known, if one can be reasonably ascertained . 

See Attachment 2 

® Mark (X) this box if you attach a continuation sheet . 

EPA FORM 7710-25 (Rev. 5-95) Page 4 
Part I -- GENERAL INFORMATION - Continued 

Section B - CHEMICAL IDENTITY INFORMATION - Continued _ 

2. Polymers (For a definition of polymer, see the Instructions Manual.) Confidential 

a. Indicate the number-average weight of the lowest molecular weight composition of the polymer you intend to manufacture . 

Indicate maximum weight percent of low molecular weight species (not including residual monomers, reactants, or solvents) below 500 and below 1,000 absolute molecular weight of that composition . 

Describe the methods of measurement or the basis for your estimates : GPC El Other r]: (Specify) _ 

i) lowest number average molecular weight : 

ii) maximum weight % below 500 molecular weight: 

iii) maximum weight % below 1000 molecular weight : 

Mark (X) this box if you attach a continuation sheet. 

b. You must make separate confidentiality claims for monomer or other reactant identity, composition information, and residual information . Mark (X) the "Confidential" box next to any item you claim as confidential 

(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) - Mark (X) the identity column 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 purposes . 

(7) - Mark (X) this column if en in column (6) is confidential . 

Monomer or other reactant and CAS Registry Number 

(1 

Confidential 

(2 

Typical 

composition 

3) 

Identity 

Mark ( _ 

(4) 

Confidential 

5) 

Maximum 

residual 

(6) 

Confidential 

(7 

E 

~ Mark (X) this box if you attach a continuation sheet . 

c . Please identify which method you used to develop or obtain the specified chemical identity information reported in this notice (check one). 

Method 1 (CAS Inventory Expert Service - a copy of the identification report E] Method 2 (other source) 

obtained from CAS Inventory Expert Service must be submitted as 

as attachment to this notice) 

d. The currently correct Chemical Abstracts (CA) name for the polymer that is consistent with TSCA Inventory listings for similar polymers. 

e. Provide a correct representative or partial chemical structure diagram, as complete as can be known, if one can be reasonably ascertained. 

E] Mark (X) this box if you attach a continuation sheet 

EPA FORM 7710-25 (Rev . 5-95) Page 5 
p. 6 

Part I - GENERAL INFORMATION -- Continued 

Section B -- CHEMICAL IDENTITY INFORhIATION - Continued 

3 . Impurities 

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

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

%. (b) - Estimate the maximum wei ght % of each im p uri ty. If there are unidentified imp urities, estimate their total wei g ht 

Impurity and CAS Registry Number 

(a) 

Maximum 

percent 

(b) 

Confidential 

Diethanolamine CAS # 111-42-2 5 °i° 

°i° 

°i° 

Mark (X) this box if you attach a continuation sheet. 

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

Mark (X) this box if you attach a continuation sheet. 

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

Vegetable Oil Reactive Polyol 

Mark (X) this box if you attach a continuation sheet. 

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. 

Mark (X) this box if you attach a continuation sheet. 

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) 

CAS Registry Number 

(2) 

Confidential 

Glycerine 56-81-5 

Mark (X) this box if you attach a continuation sheet. 

EPA FORM 7710-25 (Rev. 5-95) Page 6 
. Part I -- GENERAL INFORMATION -- Continued 

Section C -- PRODUCTION, IMPORT, AND USE INFORMATION: 

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

l . 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 100% 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 k r, specify the volume and mark (x) in the binding box. If ranted, you are bound to this volume 

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

(100% new chemical substance basis) (100% new chemical substance basis) dential Option 

Mark x) 

X 

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 en t (ies) in column (8) is (are) confidential business information (CBI). 

Category of use (1) CBI Binding Produc- CBI % in CBI % of substance expected per use CBI Option tion % Form- (8 

(by function and application i .e . a dispersive Mark (X) ulation Site- Con-; Indus- Com- Binding 

dye for finishing pol yester fibers) (2) (3) (4 (5 (6) (7) limited sumer trial mercial Option (9 

X 100 100 100 

% % % % % % % 

" 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. 

11 Mark (X) this box if you attach a continuation sheet. 

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

use Instructions Manual for examples of generic use descriptions. 

description Polyol for flexible and rigid polyurethane foam applications . 

~ Mark (X) this box if you attach a continuation sheet . 

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

information which will be provided to any person who is reasonably likely to be exposed to this substance regarding protective equipment or practices Option 

for the safe handing, trans port, use, or disposal of the new substance. List in part III hazard information you include . M°`~` ("> 

® Mark (X) this box if you attach hazard information . 

.7 

EPA FORM 7710-25 (Rev. 5-95) Page 7 
p. 8 

_ Part II-- HUMAN EXPOSURE AND ENVIRONMENTAL RELEASE 

Section A -- INDUSTRIAL SITES CONTROLLED BY THE SUBMITTER Mark (X) the "Confidential" box next to any item you 

claim as confidential 

Complete section A for each type of manufacture, processing, or use operation involving the new chemical substance at industrial sites you 

control. Importers do not have to complete this section for operations outside the U.S. ; however, you may still have reporting requirements if 

there are further industrial processing or use operations after import. You must describe these operations. See instructions manual 

l . Operation description Confia. Identi ty -- Enter the identi ty of the site at which the operation will occur. dential 

Name 

Huntsman Corporation 

Site address (number and street) 

3892 US Highway 90 W 

City, County, State, ZIP code 

Dayton, Liberty, TX 77535 

If the same operation will occur at more than one site, enter the number of sites. Identify the ; 

additional sites on a continuation sheet, and if any of the sites have significantly different 

production rates or operations, include all the information requested in this section for those 

sites as attachments. 

11 Mark (X) this box if you attach a continuation sheet . 

b. Type -- 

Mark (X) ® Manufacturing ~ Processing ~ Use 

c. Amount and Duration -- Complete 1 or 2 as app ropriate 

Maximum kg/batch (too^i new chemical ; Hours/batch ; Batches/year 

substance) i 

1 . Batch 

Maximum kg/batch (I 000/a new chemical ~ Hours/batch ; Batches/year 

substance) ~ i 

2. Continuous 

d. Process description 11 Mark (X) to indicate your willingness to have your process description binding . 

(1) Diagram the major unit operation steps and chemical conversions. Include interim storage and transport containers (specify- e .g . 5 gallon pails, 55 gallon 

drum, rail car, tank truck, etc.) . 

(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. 

® Mark (X) this box if you attach a continuation sheet . See Attachment 2 

EPA FORM 7710-25 (Rev . 5-95) Page 8 
p. 9 

Part II-- HUMAN EXPOSURE AND ENVIRONMENTAL RELEASE -- Continued 

Section A -- INDUSTRIAL SITES CONTROLLED BY THE SUBMITTER - Continued 

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

number of works 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 entry in column (5) is confidential business information (CB0. 

(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). 

(10) 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). 

Worker activity CBI Protective Equipment/ Binding Physical forms(s) Binding CBt # of CBI Maximum duration CBI 

(i.e ., bag dumping, filling drums) Engineering Controls Option and % new Option Workers Hrs/day Days/yr 

Mark (x) substance Mark (x) Exposed 

(1) (2) (3) (4) (5) (6) (7) (8) (9) (10) (il) (IZ) 

QC Sampling Safety glasses, rubber X X X 

Shipping Sampling gloves, hardhat, 

Nomex overalls 

Shipping Loading Safety glasses, rubber X X X 

gloves, hardhat, 

Nomex overalls 

Water waste truck Safety glasses, rubber X X X 

Loading I Unloading gloves, hardhat, 

Nomex overalls 

~ Mark (X) this box if you attach a continuation sheet. 

3. Environmental Release and Disposal -- You must make separate confidentiality claims for the release number and the amount of the new chemical substance 

released and other release and disposal information . Mark (X) the "Confidential" 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 ld(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 (CBn. 

(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 (Publicl Owned Treatment Works). Mark (X) if the POTW name or NPDES # is confidential business information (C 0. 

Release Amount of new substance CBI Media of Control technology and efficiency (you may wish to optionally attach efficiency data) CBt 

Number released release 

(1) (2a) (2b) e.gstack air ~ Binding 

(3) (4) (Sa) i Mark pQ (Sb) (6) 

1, 2 1 kg ~ On- Water Waste Tank ; <.01 kg I day ave. 

campaign site ; 

3 2.5 kg ~ On-site Water Waste Tank ; <.01 kg I day ave. 

campaign , 

4,5 270 kg I On-site Deep Well Injection ~ <1 kg I day ave. 

campaign 

, (7 ) Mark ( X ) the ~ POTW provide name(s) below: CBI F-1 Navigable FlOther - Specify provide NPDES # CBI 

destination(s) of waterway 

releases to water. 

Mark (X) this box if you attach a continuation sheet . 

EPA FORM 7710-25 (Rev . 5-95) Page 9 
p. 10 

Part II-- HUMAN EXPOSURE AND ENVIRONMENTAL RELEASE -- Continued 

Section B -- INDUSTRIAL SITES CONTROLLED BY OTHERS 

Complete section B for typical processing or use operations involving the new chemical substance at sites you do not control . Importers do not have to complete this 

section for operations outside the U.S . ; however, you must report any processing or use activities after import. See the Instructions Manual. Complete a separate 

section B for each type of processing, or rise operation involving the new chemical substance . If the same operation is performed at more than one site .describe the 

typ ical operation common to these sites . Identify additional sites on a continuation sheet. 

1 . Operation Description -- To claim information in this section as confidential, circle or bracket the specific information that you claim as 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) -- Provide the identity, the approximate weight 

(by kglday 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) -- Identify by number the points of release, 

including small or intermittent releases, to the environment of the new chemical substance. (4) Please enter the # of sites (remember to identify the locations of 

these sites on a continuation sheet) : 1 

# of sites 

"*** CONFIDENTIAL 

® Mark (X) this box if you attach a continuation sheet . 

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, POTW, 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 this column if an of the proceeding entries are confidential business information (CBI). 

Letter # Of CBI Duration CBI Protective Equip. / % in CBI Release Amount of CBI Media of Release CBI 

of Workers of Engineering Controls/ Form- Number New & Control 

Act- Exposed Exposure Physical Form and % ulation Substance Technology 

ivity 

new substance Released 

(1) (2) (3) (4a) (46 (5) (6) (7) (8) (9) (l0a) (10b) (11) (12) (13) 

A 1 0.5 5 Hard hat, safety glasses, Ca. 97 1 0 .1 kg ! Waste Tank 

rubber gloves, Nomex 

I 

1 

day 

B 1 0.5 5 Hard hat, safety glasses, 5 - 20 2 0 .01 kg Waste Tank 

rubber gloves, Nomex 

overalls 

/ day 

C 1 0.5 5 Hard hat, safety glasses, 5 - 20 3 0 .1 kg/ Fugitive Air 

rubber gloves, Nomex 

overalls 

day 

D,E 1 0.5 5 Hard hat, safety glasses, <1 4,5 0 1 kg 1 Deepwell 

rubber gloves, Nomex day Injection 

overalls 

(14) - Byproducts : (15) 

11 Mark (X) this box if you attach a continuation sheet. 

EPA FORM 7710-25 (Rev . 5-95) Page 10 
OPTIONAL POLLUTION PREVENTION INFORMATION 

To claim information in this section as confidential circle or bracket 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, raw materials substitution, and/or 

inventory control. 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 . Descriptions of pollution 

prevention, source reduction and recycling should emphasize potential risk reduction subsequent to compliance 

with existing regulatory requirements and can be either quantitative or qualitative. 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 environmental media or non-environmental areas (e.g., occupational or consumer exposure) . In 

addition, information on the relative cost or performance characteristics of the PMN substance to potential 

alternatives may be provided. 

All information provided in this section will be taken into consideration during the review of this 

substance. See Instructions Manual and Pollution Prevention Guidance manual for guidance and 

examples. 

Describe the expected net benefits, such as (1) an overall reduction in risk to human health or the environment; (2) a reduction in the 

volume manufactured ; (3) a reduction in the generation of waste materials through recycling, source reduction or other means; (4) a 

reduction in potential toxicity or human exposure and/or environmental release; (5) an increase in product performance, a decrease in 

the cost of production and/or improved operation efficiency of the new chemical substance in comparison to existing chemical 

substances used in similar application; or (6) the extent to which the new chemical substance may be a substitute for an existing 

substance that poses a eater overall risk to human health or the environment. 

*** CONFIDENTIAL *** 

® Mark (X) this box if you attach a continuation sheet. See Attachment 5 

P. 11 

EPA FORM 7710-25 (Rev . 5-95) Page 11 
p. 12 

Part III -- LIST OF ATTACHMENTS 

Attach continuation sheets for sections of the form and 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 the attachments . In the column below, enter the inclusive page 

numbers of each attachment. 

Mark (X) the "Confidential" box next to any attachment name 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 an attachment in which you claim information as confidential . 

Attachment name Attachment 

a e number(s) 

Confidential 

Attachment 1 - MSDS 14 

Attachment 2 - Synthetic Details / Reaction Scheme with Structures 20 

Attachment 3 - CAS IES Report 22 

Attachment 4 - NMR Spectra 23 

Attachment 5 - Sustainable Futures Discussion 24 

Attachment 6 - EPIWIN Report - PMN Substance 26 

Attachment 7 - EPIWIN Report - Surrogate 34 

E ]Mark (X) this box if you attach a continuation sheet . Enter the attachment name and number. 

EPA FORM 7710-25 (Rev. 5-95) Page 12 
PHYSICAL AND CHEMICAL PROPERTIES WORKSHEET 

To assist EPA's ieview 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 page of the notice on which the property appears, 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. 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 (% PIvIN substance in _J. You are not 

required to submit this worksheet; however, EPA strongly recommends that you do so, as it will simplify 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. 

Property Mark Page Value Measured o Conrdenmial (X) if number Estimate 

Mark ()Q 

(a) 

provided (b) (C) a (d 

M 

Physical state of substance (s) X (1) (g) 

<1 mm H9 E 

Vapor pressure 

P, Temperature 20 OC 

M 

Density/relative density @ 25.0 °C 9.14 I bSl 11 

M 

Solubility 0% 

@ Temperature 30 °C 

Solvent Hexane 

M 

Solubility in water < 80% 30 °C 

Melting temperature 

Boiling range 

X NMR M 

Spectra 

Dissociation constant 

Particle size distribution 

Octanol / water partition coefficient 

Henry's Law constant 

Volitalization from water 

Volitalization from soil 

H concentration of 1% (in H20 : 2- ro anol mix of 6 : 10) 

Flammability - Flash Point (Pens -Martens Closed Cup) 

Ex lodabili - Lower explosion limit 

Other - Upper explosion limit o 

Other - I ition temperature 

46,750 cP @ 25° C M 

Viscosity @ 25 °C 

EPA FORM 7710-25 (Rev . 5-95) Page 14 
p. 14 

Attachment 1 

Material Safety Data Sheet 

1 . Product and company identification 

Product name VEGETABLE OIL REACTIVE POLYOL, 

EXPERIMENTAL 

*** For Research and Development or Export Only *** 

Product Use Component of a Polyurethane System 

Huntsman Petrochemical Corporation 

P.O. Box 4980 

The Woodlands, TX 77387-4980 

TELEPHONE NUMBERS 

Transportation Emergency 

Company: (800) 328-8501 

CHEMTREC: (800) 424-9300 

Medical Emergency: (409) 722-9673 (24 Hour) 

General MSDS Assistance : (281) 719-6000 

Technical Information: (281) 719-7780 

E-MAIL: MSDS@huntsman.com 

Validation date : 312612008. 

HUNTSMAN 

Enriching lives through imwvstion 

MSDS # 00037972 

p~ 

_ . 

SI IIs L;eaks FireorExposure Call Chemtrec: ,(800) 424-9300 ," 

Medical _ Erriergenc ' y Informatlort`. (800)~328-8501 ' . ' 

. . In Mexico: 61'8'00 00 214 00 - 

12 . Hazards identification 

Physical state : Liquid . [Liquid.] 

OSHAlHCS status : This material is considered hazardous by the OSHA Hazard Communication Standard 

(29 CFR 1910.1200) . 

Emergency overview : WARNING! 

CAUSES RESPIRATORY TRACT, EYE AND SKIN IRRITATION. 

Irritating to eyes, respiratory system and skin . Avoid breathing vapor or mist. Avoid 

contact with eyes, skin and clothing . Use only with adequate ventilation. Keep container 

tightly closed and sealed until ready for use. Wash thoroughly after handling . 

GENERAL INFORMATION : Read the entire MSDS for a more thorough evaluation of the hazards. 

[ 3 . Composition/information on ingredients 

Name CAS number _%, 

Bio-derived reactive polyo! TSCA R&D 60-100 

3/26/2008. Page: 116 
VEGETABLE OIL REACTNE POLYOL, EXPERIMENTAL 

~4 . First aid measures 

Eye contact 

Skin contact 

Inhalation 

Ingestion 

Notes to physician 

Immediately flush eyes with plenty of water, occasionally lifting the upper and lower 

eyelids. Check for and remove any contact lenses. Continue to rinse for at least 10 

minutes. Get medical attention if irritation occurs. 

Flush contaminated skin with plenty of water. Remove contaminated clothing and shoes. 

Get medical attention if symptoms occur. Wash clothing before reuse. Clean shoes 

thoroughly before reuse. 

Move exposed person to fresh air. Keep person warm and at rest . If not breathing, if 

breathing is irregular or if respiratory arrest occurs, provide artificial respiration or oxygen 

by trained personnel . Get medical attention if symptoms occur. If unconscious, place in 

recovery position and get medical attention immediately. Maintain an open airway. 

Loosen tight clothing such as a collar, tie, belt or waistband. 

Wash out mouth with water. Move exposed person to fresh air. Do not induce vomiting 

unless directed to do so by medical personnel. Get medical attention if adverse health 

effects persist or are severe. Never give anything by mouth to an unconscious person. 

: Symptomatic and supportive therapy as needed. Following severe exposure medical 

follow-up should be monitored for at least 48 hours. 

1

5 . Fire-fighting measures 

Flash point 

Products of combustion 

Extinpuishing media 

Suitable 

Not suitable 

Special exposure hazards 

Special protective 

equipment for fire-fighters 

: Closed cup: >93.33°C (>200°F) 

: No specific data . 

: Use an extinguishing agent suitable for the surrounding fire . 

: None known. 

: In a fire or if heated, a pressure increase will occur and the container may burst. 

Promptly isolate the scene by removing all persons from the vicinity of the incident if there 

is a fire . No action shall be taken involving any personal risk or without suitable training . 

: Fire-fighters should wear appropriate protective equipment and self-contained breathing 

apparatus (SCBA) with a full face-piece operated in positive pressure mode. 

1 6 . Accidental release measures 

Personal precautions 

Environmental precautions 

Methods for cleaning up 

: No action shall be taken involving any personal risk or without suitable training . Evacuate 

surrounding areas. Keep unnecessary and unprotected personnel from entering . Do not 

touch or walk through spilled material . Avoid breathing vapor or mist. Provide adequate 

ventilation. Wear appropriate respirator when ventilation is inadequate. Put on 

appropriate personal protective equipment (see section 8). 

: Avoid dispersal of spilled material and runoff and contact with soil, waterways, drains and 

sewers . Inform the relevant authorities if the product has caused environmental pollution 

(sewers, waterways, soil or air). 

: Stop leak if without risk . Move containers from spill area. Approach release from upwind . 

Prevent entry into sewers, water courses, basements or confined areas. Wash spillages 

into an effluent treatment plant or proceed as follows. Contain and collect spillage with 

non-combustible, absorbent material e.g . sand, earth, vermiculite or diatomaceous earth 

and place in container for disposal according to local regulations (see section 13). 

Dispose of via a licensed waste disposal contractor. Contaminated absorbent material 

may pose the same hazard as the spilled product. Note: see section 1 for emergency 

contact information and section 13 for waste disposal . 

3/26/2008. Page: 216 
VEGETABLE OIL REACTIVE POLYOL, EXPERIMENTAL 

1

7 . Handling and storage 

Handling : Put on appropriate personal protective equipment (see section 8) . Eating, drinking and 

smoking should be prohibited in areas where this material is handled, stored and 

processed. Workers should wash hands and face before eating, drinking and smoking. 

Do not breathe vapor or mist . Do not ingest. Avoid contact with eyes, skin and clothing . 

Use only with adequate ventilation. Wear appropriate respirator when ventilation is 

inadequate. Keep in the original container or an approved alternative made from a 

compatible material, kept tightly closed when not in use. Empty containers retain product 

residue and can be hazardous. Do not reuse container. 

Storage : Store in accordance with local regulations. Store in original container protected from 

direct sunlight in a dry, cool and well-ventilated area, away from incompatible materials 

(see section 10) and food and drink. Keep container tightly closed and sealed until ready 

for use. Containers that have been opened must be carefully resealed and kept upright 

to prevent leakage. Do not store in unlabeled containers . Use appropriate containment 

to avoid environmental contamination. 

1 8 . Exposure controis/personal protection 

Consult local authorities for acceptable exposure limits . 

Preventive Measures : Conditions of use, adequacy of engineering or other control measures, and actual 

exposures will dictate the need for specific protective devices at your workplace. 

Engineering Controls : Use local exhaust ventilation to maintain airborne concentrations below the TLV. Suitable 

respiratory equipment should be used in cases of insufficient ventilation or where 

operational procedures demand it. For guidance on engineering control measures refer 

to publications such as the ACGIH current edition of 'Industrial Ventilation, a manual of 

Recommended Practice .' 

Personal protection 

Eyes : Safety eyewear complying with an approved standard should be used when a risk 

assessment indicates this is necessary to avoid exposure to liquid splashes, mists, gases 

or dusts. 

Skin : Personal protective equipment for the body should be selected based on the task being 

performed and the risks involved and should be approved by a specialist before handling 

this product. 

Respiratory : Use a properly fitted, air-purifying or air-fed respirator complying with an approved 

standard if a risk assessment indicates this is necessary. Respirator selection must be 

based on known or anticipated exposure levels, the hazards of the product and the safe 

working limits of the selected respirator. 

Hands : Chemical-resistant, impervious gloves complying with an approved standard should be 

worn at all times when handling chemical products if a risk assessment indicates this is 

necessary. - ---- 

I9 - -- 

. Physical and chemical properties 

General information 

Appearance 

Physical state : Liquid . [Liquid .] 

Color : Amber. 

Odor : Not available. 

Odor threshold : Not available. 

Important health, safety and environmental information 

pH : Not available. 

Boiling point : Not available. 

Melting point : Not available. 

312612008. Page: 316 
VEGETABLE OIL REACTII/E POLYOL, EXPERIMENTAL 

1 9 . Physical and chemical properties 

Flash point 

Oxidizing properties 

Vapor pressure 

Relative density 

Octanollwater partition 

coefficient 

Vapor density 

VOC content 

: Closed cup: >93.33°C (>200°F) 

: Not available. 

: Not available. 

: Not available. 

: Not available. 

: Not available. 

: Not available. 

10 . Stability and reactivity 

Stability and reactivity 

Hazardous polymerization 

Hazardous decomposition 

products 

: The product is stable . 

Not available. 

: No specific data. 

11 . Toxicological information 

Toxicitv data 

Potential acute health effects 

Ingestion 

Inhalation 

Eyes 

Skin 

: No known significant effects or critical hazards. 

: Irritating to respiratory system . 

: Irritating to eyes. 

: Irritating to skin. 

Potential chronic health effects 

Target organs 

Carcinogenicity 

Mutagenicity 

Teratogenicity 

Developmental effects 

Fertility effects 

. None known. 

: No known significant effects or critical hazards. 

: No known significant effects or critical hazards. 

: No known significant effects or critical hazards. 

: No known significant effects or critical hazards. 

: No known significant effects or critical hazards. --

112 . Ecological information 

Environmental effects : No known significant effects or critical hazards. 

1 13 . Disposal considerations 

Waste disposal : The generation of waste should be avoided or minimized wherever possible . Dispose of 

surplus and non-recyclable products via a licensed waste disposal contractor. Disposal of 

this product, solutions and any by-products should at all times comply with the 

requirements of environmental protection and waste disposal legislation and any regional 

local authority requirements. Avoid dispersal of spilled material and runoff and contact 

with soil, waterways, drains and sewers. 

312612008. Page: 416 
VEGETABLE OIL REACTIVE POLYOL, EXPERIMENTAL 

1 14 . Transport information 

Transportation Emergency Number 1-800-424-9300 (CHEMTREC). 

Regulatory 

nformation 

UN number Proper shipping 

name 

Class PG* Label Additional information 

DOT Classification Not regulated. - 

TDG Classification Not regulated. - 

lMDG Class Not 

regulated. 

IATA-DGR Class I Not I 

regulated. I I ( 

PG* : Packing group 

115 . Regulatory information 

United States 

HCS Classification : Irritating material 

U.S . Federal regulations : United States inventory (TSCA 8b): At least one component is not listed . 

***For Research and Development or Export Only*** 

CERCLA: Hazardous substances. : No ingredients listed . 

SARA 313 No ingredients listed . 

This product does not contain nor is it manufactured with ozone depleting substances. 

California Prop 65 : No ingredients listed . 

Canada 

WHMIS (Canada) : Class D-2B: Material causing other toxic effects (Toxic) . 

CEPA (DSL) : Canada inventory: At least one component is not listed . 

This product has been classified according to the hazard criteria of the CPR and the MSDS contains all the 

information required by the CPR. 

16 . Other information 

Label requirements : CAUSES RESPIRATORY TRACT, EYE AND SKIN IRRITATION. 

Hazardous Material . 

Information System (U.S .A.) 

National Fire Protection 

Association (U.S .A.) Flammability 

Health 400 \S Instability 

Date of printing : 312612008. 

312612008. Page: 516 
VEGETABLE OIL REACTIVE POLYOL, EXPERIMENTAL 

1 16 . Other information 

Date of issue : 312612008. 

Date of previous issue : No previous validation . 

Notice to reader 

While the information and recommendations in this publication are to the best of our knowledge, information and 

belief accurate at the date of publication, NOTHING HEREIN IS TO BE CONSTRUED AS A WARRANTY, EXPRESS OR 

OTHERWISE. 

IN ALL CASES, 1T IS THE RESPONSIBILITY OF THE USER TO DETERMINE THE APPLICABILITY OF SUCH 

INFORMATION AND RECOMMENDATIONS AND THE SUITABILITY OF ANY PRODUCT FOR ITS OWN PARTICULAR 

PURPOSE. 

THE PRODUCT MAY PRESENT HAZARDS AND SHOULD BE USED W1TH CAUTION. WHILE CERTAIN HAZARDS ARE 

DESCRIBED IN THIS PUBLICATION, NO GUARANTEE IS MADE THAT THESE ARE THE ONLY HAZARDS THAT EXIST. 

Hazards, toxicity, and behavior of the products may differ when used with other materials and are dependent upon 

the manufacturing circumstances or other processes. Such hazards, toxicity and behavior should be determined by 

the user and made known to handlers, processors and end users. 

NO PERSON OR ORGANIZATION EXCEPT A DULY AUTHORIZED HUNTSMAN EMPLOYEE IS AUTHORIZED TO 

PROVIDE, OR MAKE AVAILABLE, DATA SHEETS FOR HUNTSMAN PRODUCTS. DATA SHEETS FROM 

UNAUTHORIZED SOURCES MAY CONTAIN INFORMATION THAT IS NO LONGER CURRENT OR ACCURATE. NO 

PART OF THIS DATA SHEET MAYBE REPRODUCED OR TRANSMITTED 1N ANY FORM, OR BY ANY MEANS, 

WITHOUT PERMISSION IN WRITING FROM HUNTSMAN. ALL REQUESTS FOR PERMISSION TO REPRODUCE 

MATERIAL FROM THIS DATA SHEET SHOULD BE DIRECTED TO HUNTSMAN, MANAGER, PRODUCT SAFETY, AT 

THE ABOVE ADDRESS. 

3126/2008. Page: 616 
Attachment 2 

Synthetic Details 

The PMN substance is prepared by the reaction of Epoxidized Soybean Oil (ESBO) with 

Diethanolamine (DEA). Soybean oil is a triglyceride containing primarily the following 

fatty acids in the listed percent ranges: 

FATTY ACID PERCENTAGE 

C14 Saturated 0.3 

C16 Saturated 7-11 

Stearic acid (C18) 2 - 5 

>C18 Saturated 1 - 3 

C16 Unsaturated 0 -1 

Oleic acid (C18 mono- unsatd.) 22 - 34 

Linoleic acid (C18 di- unsatd.) 50 - 60 

C18 acid (tri- unsatd.) 2-10 

When epoxidized, the sites of unsaturation within the soybean oil react with the 

epoxidizing agent to form epoxide rings. This Epoxidized Soybean Oil (ESBO) is a 

purchased raw material. Upon reaction with DEA, the ester linkages of the triglyceride are 

cleaved (DEA acting as a base catalyst) followed by immediate reaction to form the 

diethanol amide of the fatty acids. Glycerine is formed as a by-product and remains in the 

final product. Additional DEA reacts with any epoxide rings to provide a tertiary amine 

and a hydroxyl group as the ring-opening functionality . The DEA can attack at either 

carbon atom of the epoxide ring, hence isomers are formed. 

In the case of the saturated fatty acids, only the diethanol amide of the fatty acid is formed. 

On the attached page, the reaction product of DEA with epoxidized oleic acid and 

epoxidized linoleic acid are shown as representative PMN substances since these are the 

predominant species in ESBO. The other fatty acids, [C14-Saturated, C16-Saturated, 

Stearic acid, >C18-Saturated, C16-Unsaturated, and C18 acid (tri- unsatd.)] also react in a 

similar fashion to form the diethanol amides with the appropriate number of hydroxyl 

groups l tertiary amines groups corresponding to the degree of unsaturation I epoxidation. 

The percentage of each PMN substance component will be the same as the percentage of 

the soybean oil fatty acid from which it is derived as shown above. 
Attachment 2 

Reaction Scheme with Structures 

**'° CONFIDENTIAL *** 

EPA FORM 7710-25 (Rev. 5-95) Page 13 
p. 22 

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/clienr/ 

Attachment 3 

INVENTORY EXPERT SERVICE REPORT 

IES-ORDER NUMBER : 111576 

REGISTRY NUMBER : 1002761-12-7 

CA INDEX NAME 

Soybean oil, epoxidized, reaction products with diethanolamine 

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

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

your IES order . Please make the same correction(s) to your PMIIQ before 

submitting it to the EPA . 

CAS " 2540 Olentangy River Road " ?O. Box 3343 " Columbus, Ohio 43210-0334 " USA 
p. 23 

Attachment 4 

0 

Q 

GW- I 

7 Y : 

o r 

{ t1 r///}}} T 

~ ~ FPP!. b 

'(I~,( r 

r f 

O p 

C~T Y 
Attachment 5 

Sustainable Futures Discussion for the PMN Substance 

Huntsman Corp. wishes to submit this PMN notification as one of the qualification submissions 

required under the Sustainable Futures program as described in 67 FR 76281 (11 Dec. 2002). 

This is the first such submission for Huntsman Corp. Others will follow to demonstrate that we 

have sufficient competence in using the P2 tools and analyzing the results . After 5-10 

submissions under the Sustainable Futures program, we would ask that the Agency grant us the 

right to submit simultaneous PMNlTME notifications. 

To demonstrate competence in using the P2 tools, the Agency requires the following : 

A. Training in the use of the tools 

The Technical Contact / Submitter of this PMN is Dr. David R. Hay. I have taken the 

required U.S. EPA Sustainable Futures Training Workshop held in Washington, DC 

on 23-25 October 2006. 

B. Apply Hazard and Exposure Screening Tools 

The EPIWIN program was run for the primary component of the PMN substance, 

namely Linoleic acid, epoxidized, reaction product with diethanolamine (Attachment 

6). Analysis of the results indicates it has a very low vapor pressure (6.27E-027 mm 

Hg) and is fairly water soluble (1934 mg/L). [ Note: The saturated components of the 

product are expected to be less water soluble, namely the Stearic acid 

diethanolamide (CASRN 93-82-3) and Palmitic acid diethanolamide (CASRN 7545-

24-6) and Myristic acid diethanolamide (CASRN 7545-23-5). Please note these three 

saturated components of the PMN substance are already on the TSCA Inventory. ] 

The ECOSAR results predict low toxicity. The worst predicted acute toxicity endpoint 

was for green algae at 3039 ppm. All four of the acute values for fish, daphia and 

green algae were much greater than the 100 ppm threshold above which is 

considered to be the low concern level for acute ecotoxicity . Since these predicted 

toxic endpoint concentrations are actually greater than the water solubility, it would 

not be possible to reach these levels. The worst predicted chronic toxicity endpoint 

was the Chronic Value (ChV) for Green Algae at 221 ppm. This is also well above 

the 10 ppm low concern level for chronic ecotoxicity. Biodegradation is predicted to 

be fast. The Bioconcentration Factor (BCF) = 3.162. Based upon these data from 

EPIWIN, the PMN substance is not persistent or bioaccumulative. Therefore the 

hazard of the PMN substance is predicted to be of LOW CONCERN . 

The E-FAST exposure model was not run since the hazard is of LOW CONCERN 

and exposure is expected to be very low despite the relatively large production 

volume of ~ kg! year. As indicated in Part II of the PMN (HUMAN 

EXPOSUR ENVIRONMENTAL RELEASE), only a few workers will be 

exposed to the substance in the manufacture and customer use, primarily during 

loading and unloading. These routine processes are carried out at manufacturing 

facilities that have adequate engineering controls and / or PPE requirements in place 

to prevent exposure. Any residual material left clinging to the surfaces of the 

equipment will be water washed and disposed of via deepwell injection . The primary 
potential for exposure occurs when the PMN substance is reacted with an isocyanate 

to form a polyurethane foam . In these instances, the polyol (containing the PMN 

substance blended with other polyols and additives such as a blowing agent) and the 

isocyanate are sprayed together into a cavity and the foam is allowed to grow. The 

PMN substance is consumed in the formation of the foam article . Due to the toxicity 

of isocyanates, proper ventilation, engineering controls and / or PPE are. 

required 

which would be more than protective for the PMN substance. For examle, if the 

polyol / isocyanate system were used to spray-apply polyurethane foam insulation 

during the retrofit of an old home (spraying the foam in between the wall studs), the 

sprayman would wear gloves, a Tyvec suit, boots and an air-supplied respirator with 

hood to prevent exposure to the isocyanate vapors. Based upon this, the exposure 

to the PMN substance is predicted to be of LOW CONCERN and the overall risk 

(considering both hazard and exposure) is LOW. 

C. Alternative Molecule(s) Considered 

One alternative molecule was considered for use as a soybean oil-based polyol / 

amine catalyst . This was Soybean oil, epoxidized, reaction products with methyl 

ethanol amine. The EPIWIN results are shown in Attachment 7, again using the 

primary component, namely Linoleic acid, epoxidized, reaction product with 

methylethanolamine . With two fewer hydroxyl groups than the PMN substance, the 

alternative molecule did not perform as well. The polyurethane foam was not as 

heavily crosslinked and subsequent foam density / strength was not as good. On the 

environmental side, the alternative molecule was less soluble in water and had 

predicted higher toxicity, particularly to algae, compared to the PMN substance. 

However the ECOSAR results indicate it was still of low hazard concern with the 

lowest acute toxicity endpoint being 140 ppm and the lowest chronic value being 20 

PPM. 

While these ECOSAR results indicated a low hazard potential for both human health 

and ecological effects, this alternative molecule was rejected because its 

performance characteristics were inferior to the PMN substance. 

D. Perspective on the P2 Framework Tools 

The most valuable part of the P2 Framework tools used in the analysis for this PMN 

substance was ECOSAR. Since ECOSAR quantifies the toxicity for the 

representative species, it is fairly easy for the user to determine the hazard concern 

level . For this PMN substance, the toxic endpoint values were quite high indicating a 

low concern level for both acute and chronic duration . Use of the predicted 

Biodegradation rate and the Bioconcentration Factor (BCF) assisted in determining 

the PMN substance was not persistent or bioaccumulative . Thus one can quickly 

conclude the substance is not a PBT. 

It was felt that the exposure models were not needed for the analysis of the PMN 

substance given the low hazard and the limited duration of the substance. When 

used, it is reacted with an isocyanate to form a foam article and is thus incorporated 

into the polymeric matrix. The only exposure would occ anufacture where 

only a few workers could come in contact with it during t~ and unloading 

processes. These potential exposures are avoided using proper ventilation, PPE, 

etc . at the manufacturing facility. During the spray application, considerable 

protection in the form of engineering controls and PPE is used to protect the 

sprayman from isocyanate exposure which is more than adequate to protect him from 

the PMN substance. 
Attachment 6 

H O 

'-H -,./, 

H O 

J O 

SMILES : CCCCCC(O)C(N(CCO)(CCO))CC(O)C(N(CCO)(CCO))CCCCCCCC(=0)N(CCO)CCO 

CHEM : Linoleic acid, epoxidized, reaction product with diethanolamine 

MOL FOR : C30 H63 N3 09 

MOL WT : 609 .85 

------------------------------ EPI SUMMARY (v3 .10) --------------------------

Physical Property Inputs : 

Water Solubility (mg/L) : ------

Vapor Pressure (mm Hg) : ------

Henry LC (atm-m3/mole) : ------

Log Kow (octanol-water) : ------

Boiling Point (deg C) . ------

Melting Point (deg C) . ------ 

KOWWIN Program (v1 .66) Results : 

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

Log Kow(version 1 .66 estimate) : -2 .87 

SMILES : CCCCCC(O)C(N(CCO)(CCO))CC(0)C(N(CCO)(CCO))CCCCCCCC(=0)N(CCO)CCO 

CHEM : Linoleic acid, epoxidized, reaction product with diethanolamine 

MOL FOR : C30 H63 N3 09 

MOL WT : 609 .85 

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

TYPE I NUM I LOGKOW FRAGMENT DESCRIPTION I COEFF I VALUE 

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

Frag I 1 I -CH3 [aliphatic carbon] I 0 .5473 I 0 .5473 

Frag I 24 I -CH2- [aliphatic carbon] I 0 .4911 I 11 .7864 

Frag I 4 I -CH [aliphatic carbon] I 0 .3614 I 1 .4456 

Frag I 8 I -OH [hydroxy, aliphatic attach] I-1 .4086 i-11 .2688 

Frag I 3 I -N< [aliphatic attach] I-1 .8323 I -5 .4969 

Frag I 1 I -C(=O)N [aliphatic attach] I-0 .5236 I -0 .5236 

Factorl 1 I Multi-alcohol correction I 0 .4064 I 0 .4064 

Const I I Equation Constant I I 0 .2290 

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

Log Kow = -2 .8746 

MPBPWIN (v1 .40) Program Results : 

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

Experimental Database Structure Match : no data 

SMILES : CCCCCC(O)C(N(CCO)(CCO))CC(0)C(N(CCO)(CCO))CCCCCCCC(=0)N(CCO)CCO 

CHEM : Linoleic acid, epoxidized, reaction product with diethanolamine 

MOL FOR: C30 H63 N3 09 

MOL WT : 609 .85 

------------------------ SUMMARY MPBPWIN v1 .40 -------------------- 

Boiling Point : 840 .89 deg C (Adapted Stein and Brown Method) 

Melting Point : 349 .84 deg C (Adapted Joback Method) 

Melting Point : 349 .84 deg C (Gold and Ogle Method) 

Mean Melt Pt : 349 .84 deg C (Joback; Gold,Ogle Methods) 
p. 27 

Selected MP : 349 .84 deg C (Weighted Value) 

Vapor Pressure Estimations (25 deg C) : 

(Using BP : 840 .89 deg C (estimated)) 

(Using MP : 349 .84 deg C (estimated)) 

VP : 4 .54E-047 mm Hg (Antoine Method) 

VP : 6 .27E-027 mm Hg (Modified Grain Method) 

VP : 2 .82E-020 mm Hg (Mackay Method) 

Selected VP : 6 .27E-027 mm Hg (Modified Grain Method) 

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

TYPE I NUM I BOIL DESCRIPTION I COEFF I VALUE 

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

Group I 1 I -CH3 I 21 .98 I 21 .98 

Group 1 24 1 -CH2- 1 24 .22 1 581 .28 

Group 1 4 1 >CH- I 11 .86 1 47 .44 

Group 1 2 1 >N- I 25 .78 1 51 .56 

Group I 6 I -OH (primary) I 88 .46 I 530 .76 

Group I 2 I -OH (secondary) I 80 .63 I 161 .26 

Group 1 1 1 -C(=0)N< 1 142 .77 I 142 .77 

I Equation Constant I I 198 .18 

RESULT-uncorrl BOILING POINT in deg Kelvin I 1735 .23 

RESULT- corr I BOILING POINT in deg Kelvin I 1114 .05 

I BOILING POINT in deg C I 840 .89 

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

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

TYPE I NUM I MELT DESCRIPTION I COEFF I VALUE 

------=+-----+--------------------+----------+---------

Group I 1 I -CH3 I -5 .10 I -5 .10 

Group 1 24 1 -CH2- I 11 .27 1 270 .48 

Group 1 4 1 >CH- I 12 .64 1 50 .56 

Group 1 2 1 >N- I 48 .84 1 97 .68 

Group I 6 I -OH (primary) I 44 .45 I 266 .70 

Group I 2 I -OH (secondary) I 44 .45 I 88 .90 

Group I 1 I -C(=0)N< I 142 .00 I 142 .00 

I Equation Constant I I 122 .50 

RESULT I MELTING POINT in deg Kelvin I 1033 .72 

RESULT-limitl MELTING POINT in deg Kelvin I 623 .00 

I MELTING POINT in deg C I 349 .84 

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

Water Sol from Kow (WSKOW v1 .40) Results : 

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

Water Sol: 1934 mg/L 

SMILES : CCCCCC(0)C(N(CCO)(CCO))CC(O)C(N(CCO)(CCO))CCCCCCCC(=0)N(CCO)CCO 

CHEM : Linoleic acid, epoxidized, reaction product with diethanolamine 

MOL FOR : C30 H63 N3 09 

MOL WT : 609 .85 

---------------------------------- WSKOW v1 .40 Results ------------------------

Log Kow (estimated) . -2 .87 

Log Kow (experimental) : not available from database 

Log Kow used by Water solubility estimates : -2 .87 

Equation Used to Make Water Sol estimate : 

Log S (mol/L) = 0 .796 - 0.854 log Kow - 0 .00728 MW + Correction 

(used when Melting Point NOT available) 

Correction(s) : Value 

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

Multi-Nitrogen Type -1 .310 
Log Water Solubility (in moles/L) : -2 .499 

Water Solubility at 25 deg C (mg/L) : 1934 

ECOSAR Program (v0 .99g) Results : 

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

SMILES : CCCCCC(O)C(N(CCO)(CCO))CC(O)C(N(CCO)(CCO))CCCCCCCC(=0)N(CCO)CCO 

CHEM : Linoleic acid, epoxidized, reaction product with diethanolamine 

CAS Num : 

ChemIDl : 

ChemID2 : 

ChemID3 : 

MOL FOR : C30 H63 N3 09 

MOL WT : 609 .85 

Log Kow: -2 .87 (KowWin estimate) 

Melt Pt : 

Wat Sol: 2.515E+008 mg/L (calculated) 

ECOSAR v0 .99g Class(es) Found 

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

Aliphatic Amines 

Predicted 

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

Neutral Organic SAR : Fish 14-day LC50 1 .43e+007 

(Baseline Toxicity) 

Aliphatic Amines : Fish 96-hr LC50 2 .2e+005 

Aliphatic Amines : Daphnid 48-hr LC50 8655 .739 

Aliphatic Amines : Green Algae 96-hr EC50 3039 .514 

Aliphatic Amines : Green Algae 96-hr ChV 221.210 

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

enough to measure this predicted effect . 

Fish and daphnid acute toxicity log Kow cutoff : none 

Green algal EC50 toxicity log Kow cutoff : none 

Chronic toxicity log Kow cutoff : none 

MW cutoff : none 

HENRY (v3 .10) Program Results : 

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

Bond Est : 2 .16E-026 atm-m3/mole 

Group Est : Incomplete 

SMILES : CCCCCC(O)C(N(CCO)(CCO))CC(0)C(N(CCO)(CCO))CCCCCCCC(=0)N(CCO)CCO 

CHEM : Linoleic acid, epoxidized, reaction product with diethanolamine 

MOL FOR : C30 H63 N3 09 

MOL WT : 609 .85 

--------------------------- HENRYWIN v3 .10 Results --------------------------

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

CLASS I BOND CONTRIBUTION DESCRIPTION I COMMENT I VALUE 

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

HYDROGEN I 55 Hydrogen to Carbon (aliphatic) Bonds I I -6 .5822 

HYDROGEN I 8 Hydrogen to Oxygen Bonds I I 25 .8542 

FRAGMENT I 22 C-C I I 2 .5587 

FRAGMENT I 1 C-CO ~ I 1 .7057 

FRAGMENT I 8 C-N I I 10 .4080 

FRAGMENT I 8 C-0 I I 8 .6838 

FRAGMENT I 1 CO-N I I 2 .4261 

FACTOR I 7 Additional aliphatic alcohol -OH(s) I I-21 .0000 

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

RESULT I BOND ESTIMATION METHOD for LWAPC VALUE I TOTAL 1 24 .054 
p. 29 

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

HENRYs LAW CONSTANT at 25 deg C = 2 .16E-026 atm-m3/mole 

= 8 .83E-025 unitless 

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

I GROUP CONTRIBUTION DESCRIPTION I COMMENT I VALUE 

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

I 1 CH3 (X) I I -0 .62 

I 11 CH2 (C)(C) I I -1 .65 

I 6 CH2 (C) (0) I I -0 .78 

I 1 CH2 (C) (CO) I I -0 .15 

I 6 CH2 (C) (N) I I -0 .48 

I 2 CH (C) (C) (0) I I 0 .24 

I 8 O-H (C) I I 35 .60 

I 2 N (C) (C) (C) I I 8 .28 

I MISSING Value for : CH (N)(C)(C) 

/ MISSING Value for : CH (N)(C)(C) 

I MISSING Value for : CO (N)(C) 

I MISSING Value for : N (C)(C)(CO) 

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

RESULT I GROUP ESTIMATION METHOD for LOG GAMMA VALUE I INCOMPLETE I 40 .44 

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

Henrys LC [VP/WSol estimate using EPI values] : 

HLC : 2 .601E-030 atm-m3/mole 

VP : 6 .27E-027 mm Hg 

WS : 1 .93E+003 mg/L 

BIOWIN (v4 .00) Program Results : 

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

SMILES- : CCCCCC(0)C(N(CCO)(CCO))CC(O)C(N(CCO)(CCO))CCCCCCCC(=0)N(CCO)CCO 

CHEM : Linoleic acid, epoxidized, reaction product with diethanolamine 

MOL FOR : C30 H63 N3 09 

MOL WT : 609 .85 

--------------------------- BIOWIN v4 .00 Results ---------------------------- 

Linear Model Prediction . Biodegrades Fast 

Non-Linear Model Prediction : Biodegrades Fast 

Ultimate Biodegradation Timeframe: Weeks 

Primary Biodegradation Timeframe : Days 

MITI Linear Model Prediction . Biodegrades Fast 

MITI Non-Linear Model Prediction : Biodegrades Fast 

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

TYPE I NUM I BIOWIN FRAGMENT DESCRIPTION I COEFF I VALUE 

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

Frag l 1 I Linear C4 terminal chain [CCC-CH3] I 0 .1084 I 0 .1084 

Frag I 8 I Aliphatic alcohol [-OH] I 0 .1587 I 1 .2698 

Frag I 1 I Amide [-C(=0)-N or -C(=S)-N] I 0 .2102 I 0 .2102 

Frag I 2 I Tertiary amine I -0 .2053 I -0 .4105 

MolWtl * I Molecular Weight Parameter I I -0 .2903 

Constl * I Equation Constant I I 0 .7475 

RESULT I LINEAR BIODEGRADATION PROBABILITY I I 1 .6351 

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

TYPE I NUM I BIOWIN FRAGMENT DESCRIPTION I COEFF I VALUE 

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

Frag l 1 I Linear C4 terminal chain [CCC-CH3] I 1 .8437 I 1 .8437 

Frag I 8 I Aliphatic alcohol [-OH] I 1 .1178 I 8 .9424 

Frag I 1 I Amide [-C(=0)-N or -C(=S')-N] I 2 .6913 I 2 .6913 

Frag I 2 I Tertiary amine I -2 .2229 I -4 .4458 

MolWtl * I Molecular Weight Parameter I I -8-6599 

RESULT I NON-LINEAR BIODEGRADATION PROBABILITY I I 0 .9671 
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 BIOWIN FRAGMENT DESCRIPTION I COEFF I VALUE 

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

Frag I 1 I Linear C4 terminal chain [CCC-CH3] I 0 .2983 I 0 .2983 

Frag I 8 I Aliphatic alcohol [-OH] I 0 .1600 I 1 .2798 

Frag 1 1 I Amide [-C(=0)-N or -C(=S)-N] I . -0 .0542 I -0 .0542 . 

Frag I 2 I Tertiary amine I -0 .2548 I -0 .5096 

Mo1Wtl * I Molecular Weight Parameter I I -1 .3477 

Constl * I Equation Constant I I 3 .1992 

RESULT I SURVEY MODEL - ULTIMATE BIODEGRADATION I I 2 .8658 

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

TYPE I NUM I BIOWIN FRAGMENT DESCRIPTION I COEFF I VALUE 

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

Frag I 1 I Linear C4 terminal chain [CCC-CH3] I 0 .2691 I 0 .2691 

Frag I 8 I Aliphatic alcohol [-OH] I 0 .1294 I 1 .0356 

Frag I 1 I Amide [-C(=0)-N or -C(=S)-N] I 0 .2054 I 0 .2054 

Frag I 2 I Tertiary amine I -0 .2880 I -0 .5760 

MolWt/ * I Molecular Weight Parameter I I -0 .8799 

Constl * I Equation Constant I I 3 .8477 

RESULT I SURVEY MODEL - PRIMARY BIODEGRADATION I I 3 .9020 

Result Classification : 5 .00 -> hours 4 .00 -> days 3.00 -> weeks 

(Primary & Ultimate) 2 .00 -> months 1 .00 -> longer 

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

TYPE I NUM I BIOWIN FRAGMENT DESCRIPTION I COEFF I VALUE 

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

Frag I 8 I Aliphatic alcohol [-OH] I 0 .1611 I 1 .2891 

Frag I 1 I Amide [-C(=0)-N or -C(=S)-N] I 0 .1266 I 0 .1266 

Frag I 2 I Tertiary amine I -0 .0848 I -0 .1697 

Frag I 1 1 Methyl [-CH31 1 0 .0004 1 0 .0004 

Frag I 24 I -CH2- [linear] I 0 .0494 I 1 .1860 

Frag I 4 I -CH- [linear] I -0 .0507 I -0 .2027 

MolWtl * I Molecular Weight Parameter I I -1 .8143 

Const/ * I Equation Constant I I 0 .7121 

RESULT I MITI LINEAR BIODEGRADATION PROBABILITY I I 1 .1276 

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

TYPE I NUM I BIOWIN FRAGMENT DESCRIPTION I COEFF I VALUE 

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

Frag I 8 I Aliphatic alcohol [-OH] I 1 .0041 I 8 .0332 

Frag I 1 I Amide [-C(=0)-N or -C(=S)-N] I 0 .8859 I 0 .8859 

Frag I 2 I Tertiary amine I -0 .8396 I -1 .6793 

Frag I 1 1 Methyl [-CH31 1 0 .0194 1 0 .0194 

Frag 1 24 1 -CH2- [linear] 1 0 .4295 1 10 .3079 

Frag I 4 I -CH- [linear] I -0 .0998 I -0 .3991 

MolWtl * I Molecular Weight Parameter I I-17 .6057 

RESULT I MITI NON-LINEAR BIODEGRADATION PROBABILITY I I 0 .8897 

A Probability Greater Than or Equal to 0 .5 indicates --> Readily Degradable 

A Probability Less Than 0.5 indicates --> NOT Readily Degradable 
p. 31 

AOP Program (v1 .90) Results : 

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

SMILES : CCCCCC(O)C(N(CCO)(CCO))CC(O)C(N(CCO)(CCO))CCCCCCCC(=0)N(CCO)CCO 

CHEM : Linoleic acid, epoxidized, reaction product with diethanolamine 

MOL FOR : C30 H63 N3 09 

MOL WT : 609 .85 

------------------- SUMMARY (AOP v1 .90) : HYDROXYL RADICALS -------------------

Hydrogen Abstraction = 170 .7939 E-12 cm3/molecule-sec 

Reaction with N, S and -OH = 148 .1200 E-12 cm3/molecule-sec 

Addition to Triple Bonds = 0 .0000 E-12 cm3/molecule-sec 

Addition to Olefinic Bonds = 0 .0000 E-12 cm3/molecule-sec 

Addition to Aromatic Rings = 0 .0000 E-12 crn3/molecule-sec 

Addition to Fused Rings = 0 .0000 E-12 cm3/molecule-sec 

OVERALL OH Rate Constant = 318 .9139 E-12 cm3/molecule-sec 

HALF-LIFE = 0 .034 Days (12-hr day; 1 .5E6 OH/cm3) 

HALF-LIFE = 24 .148 Min 

------------------- SUMMARY (AOP v1 .90) : OZONE REACTION ---------------------- 

****** NO OZONE REACTION ESTIMATION ****** 

(ONLY Olefins and Acetylenes are Estimated) 

Experimental Database : NO Structure Matches 

PCKOC Program (v1 .66) Results : 

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

Koc (estimated) : 3 .93e+006 

SMILES : CCCCCC(O)C(N(CCO)(CCO))CC(0)C(N(CCO)(CCO))CCCCCCCC(=0)N(CCO)CCO 

CHEM : Linoleic acid, epoxidized, reaction product with diethanolamine 

MOL FOR : C30 H63 N3 09 

MOL WT : 609 .85 

--------------------------- PCKOCWIN vl .66 Results --------------------------- 

First Order Molecular Connectivity Index . . . . . . . . . . . : 20 .339 

Non-Corrected Log Koc . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11 .4380 

Fragment Correction(s) : 

1 N-CO-C (aliphatic carbon) . . . . . . . . . . . . . -0 .8112 

8 Nitrogen to Carbon (aliphatic) (-N-C) . . . -0 .9936 

2 Aliphatic Alcohol (-C-OH) . . . . . . . . . . . : -3 .0386 

Corrected Log Koc . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6.5946 

Estimated Koc : 3 .931e+006 

HYDROWIN Program (v1 .67) Results : 

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

SMILES : CCCCCC(O)C(N(CCO)(CCO))CC(0)C(N(CCO)(CCO))CCCCCCCC(=0)N(CCO)CCO 

CHEM : Linoleic acid, epoxidized, reaction product with diethanolamine 

MOL FOR : C30 H63 N3 09 

MOL WT : 609 .85 

--------------------------- HYDROWIN v1 .67 Results --------------------------- 

AMIDE : -N-C(=0)-CCompound has an amide group ; C=0 located at SMILES atom # : 34 

Hydrolysis Rate Extremely Slow or tl/2 > 1 Year 

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

BCF Program (v2 .14) Results : 

--------------------------- 
p. 32 

,SMILES : CCCCCC(O)C(N(CCO)(CCO))CC(0)C(N(CCO)(CCO))CCCCCCCC(=0)N(CCO)CCO 

CHEM : Linoleic acid, epoxidized, reaction product with diethanolamine 

MOL FOR : C30 H63 N3 09 

MOL WT : 609.85 

--------------------------------- Bcfwin v2 .14 --------------------------------

Log Kow (estimated) . -2 .87 

Log Kow (experimental) : not available from database 

Log Kow used by BCF estimates : -2 .87 

Equation Used to Make BCF estimate : 

Log BCF = 0 .50 

Correction(s) : 

Correction Factors Not Used for 

Value 

Log Kow < 1 

Estimated Log BCF = 0 .500 (BCF = 3.162) 

Volatization From Water 

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

Chemical Name : Linoleic acid, epoxidized, reaction product with diethanolamine 

Molecular Weight . 609.85 g/mole 

Water Solubility . ----- 

vapor rressure . ----- 

Henry's Law Constant : 2 .16E-026 atm-m3/mole (estimated by Bond SAR Method) 

RIVER 

Water Depth (meters) : 1 

Wind Velocity (m/sec) : 5 

Current Velocity (m/sec) : 1 

HALF-LIFE (hours) : 

HALF-LIFE (days ) : 

HALF-LIFE (years) : 

6 .694E+022 

2 .789E+021 

7 .636E+018 

LAKE 

1 

0 .5 

0 .05 

7 .302E+023 

3.043E+022 

8 .33E+019 

STP Fugacity Model : Predicted Fate in a Wastewater Treatment Facility 

PROPERTIES OF : Linoleic acid, epoxidized, reaction product with diethanolamine 

Molecular weight (g/mol) 

Aqueous solubility (mg/1) 

Vapour pressure (Pa) 

(atm) 

(mm Hg) 

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

Air-water partition coefficient 

Octanol-water partition coefficient 

Log Kow 

Biomass to water partition 

Temperature [deg C] 

609 .85 

0 

0 

0 

0 

1E-025 

4 .0897E-024 

(Kow) 0 .00134896 

coefficient 

Biodeg rate constants (h^-1), 

-Primary tank 

-Aeration tank 

-Settling tank 

half life 

0 .04 

0 .04 

0 .04 

STP Overall Chemical Mass Balance : 

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

g/h 

Influent 1 .00E+001 

Primary sludge 2 .50E-002 

Waste sludge 1 .50E-001 

-2 .87 

0 .80027 

25 

in biomass (h) and in 2000 mg/L MLSS (h) : 

15 .98 10000 .00 

15 .98 10000 .00 

15 .98 10000 .00 

mol/h percent 

1 .6E-002 100 .00 

4 .1E-005 0 .25 

2 .5E-004 1 .50 
Primary volatilization 5 .45E-023 8 .9E-026 0 .00 

Settling volatilization 1 .49E-022 2 .4E-025 0 .00 

Aeration off gas 3 .66E-022 6 .0E-025 0 .00 

Primary biodegradation 1 .76E-003 2 .9E-006 0 .02 

Settling biodegradation 5 .27E-004 8 .6E-007 0 .01 

Aeration biodegradation 6 .93E-003 1 .1E-005 0 .07 

Final water effluent 9 .82E+000 1 .6E-002 98 .15 

Total removal 1 .85E-001 3 .0E-004 1 .85 

Total biodegradation 9 .22E-003 1 .5E-005 0 .09 

p. 33 

Level III Fugacity Model (Full-Output) : 

Chem Name : Linoleic acid, epoxidized, reaction product with diethanolamine 

Molecular Wt : 609 .85 

Henry's LC : 2 .16e-026 atm-m3/mole (Henrywin program) 

Vapor Press : 6 .27e-027 mm Hg (Mpbpwin program) 

Liquid VP : 1 .02e-023 mm Hg (super-cooled) 

Melting Pt : 350 deg C (Mpbpwin program) 

Log Kow . -2 .87 (Kowwin program) 

Soil Koc : 0 .000553 (calc by model) 

Mass Amount Half-Life Emissions 

(percent) (hr) (kg/hr) 

Air 0.0423 0.805 1000 

Water 48 .2 360 1000 

Soil 51 .7 360 1000 

Sediment 0 .0803 1 .44e+003 0 

Fugacity Reaction Advection Reaction Advection 

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

Air 2 .08e-030 394 4 .57 13 .1 0 .152 

Water 9 .24e-032 le+003 522 33 .5 17 .4 

Soil 3 .67e-030 1 .08e+003 0 35 .9 0 

Sediment 7 .69e-032 0 .418 0 .0174 0 .0139 0 .000579 

Persistence Time : 361 hr 

Reaction Time : 437 hr 

Advection Time : 2.06e+003 hr 

Percent Reacted: 82 .5 

Percent Advected : 17 .5 

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

Air: 0 .805 

Water : 360 

Soil : 360 

Sediment : 1440 

Biowin estimate : 2.866 (weeks ) 

Advection Times (hr) : 

Air : 100 

Water : 1000 

Sediment : 5e+004 
Attachment 7 

H ;C 

H O 

O H 

C H , 

N~ 

H0 H 

--C H , 

\ 

H O 

SMILES : CCCCCC(0)C(N(CCO)C)CC(O)C(N(CCO)C)CCCCCCCC(=0)N(CCO)C 

CHEM : Linoleic acid, epoxidized, reaction product with methylethanolamine 

MOL FOR : C27 H57 N3 06 

MOL WT : 519 .77 

------------------------------ EPI SUMMARY (v3 .10) --------------------------

Physical Property Inputs : 

Water Solubility (mg/L) : ------

Vapor Pressure (mm Hg) . ------

Henry LC (atm-m3/mole) . ------

Log Kow (octanol-water) : ------

Boiling Point (deg C) . ------

Melting Point (deg C) . ------ 

KOWWIN Program (vl .66) Results : 

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

Log Kow(version 1 .66 estimate) : 0 .05 

SMILES : CCCCCC(O)C(N(CCO)C)CC(O)C(N(CCO)C)CCCCCCCC(=0)N(CCO)C 

CHEM : Linoleic acid, epoxidized, reaction product with methylethanolamine 

MOL FOR : C27 H57 N3 06 

MOL WT : 519 .77 

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

TYPE I NUM I LOGKOW FRAGMENT DESCRIPTION I COEFF I VALUE 

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

Frag I 4 I -CH3 [aliphatic carbon] I 0 .5473 I 2 .1892 

Frag I 18 I -CH2- [aliphatic carbon] I 0 .4911 I 8 .8398 

Frag I 4 I -CH [aliphatic carbon] I 0 .3614 I 1 .4456 

Frag I 5 I -OH [hydroxy, aliphatic attach] I-1 .4086 I -7 .0430 

Frag I 3 I -N< [aliphatic attach] I-1 .8323 I -5 .4969 

Frag I 1 I -C(=O)N [aliphatic attach] I-0 .5236 I -0 .5236 

Factorl 1 I Multi-alcohol correction I 0.4064 I 0 .4064 

Const I I Equation Constant I I 0 .2290 

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

Log Kow = 0 .0465 

MPBPWIN (v1 .40) Program Results : 

Experimental Database Structure Match : no data 

SMILES : CCCCCC(0)C(N(CCO)C)CC(0)C(N(CCO)C)CCCCCCCC(=0)N(CCO)C 

CHEM : Linoleic acid, epoxidized, reaction product with methylethanolamine 

MOL FOR : C27 H57 N3 06 

MOL WT : 519 .77 

------------------------ SUMMARY MPBPWIN v1 .40 -------------------- 

Boiling Point : 675 .71 deg C (Adapted Stein and Brown Method) 

Melting Point : 349.84 deg C (Adapted Joback Method) 

Melting Point : 280.89 deg C (Gold and Ogle Method) 

Mean Melt Pt : 315 .36 deg C (Joback ; Gold,Ogle Methods) 

H"Ic `O 
p. 35 

Selected MP : 294 .68 deg C (Weighted Value) 

Vapor Pressure Estimations (25 deg C) : 

(Using BP : 675 .71 deg C (estimated)) 

(Using MP : 294 .68 deg C (estimated)) 

VP : 1 .83E-028 mm Hg (Antoine Method) 

VP : 2 .18E-020 mm Hg (Modified Grain Method) 

VP : 3 .31E-015 mm Hg (Mackay Method) 

Selected VP : 2 .18E-020 mm Hg (Modified Grain Method) 

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

TYPE I NUM I BOIL DESCRIPTION I COEFF I VALUE 

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

Group I 4 I -CH3 I 21 .98 I 87 .92 

Group I 18 I -CH2- I 24 .22 I 435 .96 

Group I 4 I >CH- I 11 .86 I 47 .44 

Group I 2 I >N- I 25 .78 I 51 .56 

Group I 3 I -OH (primary) I 88 .46 I 265 .38 

Group I 2 I -OH (secondary) I 80 .63 I 161 .26 

Group I 1 I -C(=0)N< I 142 .77 I 142 .77 

I Equation Constant I I 198 .18 

RESULT-uncorrl BOILING POINT in deg Kelvin I 1390 .47 

RESULT- corr I BOILING POINT in deg Kelvin I 948 .87 

I BOILING POINT in deg C I 675 .71 

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

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

TYPE I NUM I MELT DESCRIPTION I COEFF I VALUE 

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

Group I 4 I -CH3 I -5 .10 I -20 .40 

Group I 18 I -CH2- I 11 .27 I 202 .86 

Group I 4 I >CH- I 12 .64 I 50 .56 

Group I 2 I >N- I 48 .84 I 97 .68 

Group I 3 I -OH (primary) I 44 .45 I 133 .35 

Group I 2 I -OH (secondary) I 44 .45 I 88 .90 

Group I 1 I -C(=0)N< I 142 .00 I 142 .00 

* I I Equation Constant I I 122 .50 

RESULT I MELTING POINT in deg Kelvin I 817 .45 

RESULT-limitl MELTING POINT in deg Kelvin, I 623 .00 

I MELTING POINT in deg C I 349 .84 

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

Water Sol from Kow (WSKOW v1 .40) Results : 

Water Sol : 23 .89 mg/L 

SMILES : CCCCCC(O)C(N(CCO)C)CC(O)C(N(CCO)C)CCCCCCCC(=0)N(CCO)C 

CHEM : Linoleic acid, epoxidized, reaction product with methylethanolamine 

MOL FOR: C27 H57 N3 06 

MOL WT : 519 .77 

---------------------------------- WSKOW v1 .40 Results ------------------------

Log Kow (estimated) . 0 .05 

Log Kow (experimental) : not available from database 

Log Kow used by Water solubility estimates : 0 .05 

Equation Used to Make Water Sol estimate : 

Log S (mol/L) = 0 .796 - 0 .854 log Kow - 0 .00728 MW + Correction 

(used when Melting Point NOT available) 

Correction(s) : Value 

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

Multi-Nitrogen Type -1 .310 
p. 36 

Log Water Solubility (in moles/L) : -4 .338 

Water Solubility at 25 deg C (mg/L) : 23 .89 

ECOSAR Program (v0 .99g) Results : 

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

SMILES : CCCCCC(O)C(N(CCO)C)CC(O)C(N(CCO)C)CCCCCCCC(=0)N(CCO)C 

CHEM : Linoleic acid, epoxidized, reaction product with methylethanolamine 

CAS Num : 

ChemIDl : 

ChemID2 : 

ChemID3 : 

MOL FOR : C27 H57 N3 06 

MOL WT : 519 .77 

Log Kow : 0 .05 (KowWin estimate) 

Melt Pt : 

Wat Sol : 2- :253E+005 mg/L (calculated) 

ECOSAR v0 .99g Class(es) Found 

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

Aliphatic Amines 

Predicted 

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

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

Neutral Organic SAR : Fish 14-day LC50 34854 .836 

(Baseline Toxicity) 

Aliphatic Amines : Fish 96-hr LC50 2534 .038 

Aliphatic Amines : Daphnid 48-hr LC50 145 .416 

Aliphatic Amines : Green Algae 96-hr EC50 139 .995 

Aliphatic Amines : Green Algae 96-hr ChV 19 .958 

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

enough to measure this predicted effect . 

Fish and daphnid acute toxicity log Kow cutoff : none 

Green algal EC50 toxicity log Kow cutoff : none 

Chronic toxicity log Kow cutoff : none 

MW cutoff : none 

HENRY (v3 .10) Program Results : 

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

Bond Est : 1 .89E-022 atm-m3/mole 

Group Est : Incomplete 

SMILES : CCCCCC(O)C(N(CCO)C)CC(O)C(N(CCO)C)CCCCCCCC(=0)N(CCO)C 

CHEM : Linoleic acid, epoxidized, reaction product with methylethanolamine 

MOL FOR : C27 H57 N3 06 

MOL WT : 519 .77 

--------------------------- HENRYWIN v3 .10 Results --------------------------

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

CLASS I BOND CONTRIBUTION DESCRIPTION I COMMENT I VALUE 

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

HYDROGEN ~ 52 Hydrogen to Carbon (aliphatic) Bonds 1 ~ -6 .2232 

HYDROGEN ~ 5 Hydrogen to Oxygen Bonds ~ ~ 16 .1589 

FRAGMENT ~ 19 C-C I I 2 .2098 

FRAGMENT ~ 1 C-CO ~ ~ 1 .7057 

FRAGMENT ~ 8 C-N I I 10 .4080 

FRAGMENT ~ 5 C-0 ~ ~ 5 .4274 

FRAGMENT ~ 1 CO-N I I 2 .4261 

FACTOR ~ 4 Additional aliphatic alcohol -OH(s) ~ 1-12 .0000 

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

RESULT I BOND ESTIMATION METHOD for LWAPC VALUE I TOTAL 1 20 .113 
----------+---------------------------------------------+---------+----------

HENRYs LAW CONSTANT at 25 deg C = 1 .89E-022 atm-m3/mole 

= 7 .72E-021 unitless 

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

I GROUP CONTRIBUTION DESCRIPTION I COMMENT I VALUE 

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

I 4 CH3 (X) 

I 11 CH2 (C) (C) 

I 3 CH2 (C) (O) 

I 1 CH2 (C) (CO) 

3 CH2 (C) (N) 

2 CH (C) (C) (0) 

5 O-H (C) 

2 N (C) (C) (C) 

I MISSING Value for : CH (N)(C)(C) 

i MISSING Value for : CH (N)(C)(C) 

I MISSING Value for : CO (N)(C) 

I MISSING Value for : N (C)(C)(CO) 

-2 .48 

-1 .65 

-0 .39 

-0 .15 

-0 .24 

0 .24 

22 .25 

8 .28 

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

RESULT I GROUP ESTIMATION METHOD for LOG GAMMA VALUE I INCOMPLETE I 25 .86 

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

Henrys LC [VP/WSol estimate using EPI values] : 

HLC : 6 .241E-022 atm-m3/mole 

VP : 2.18E-020 mm Hg 

WS : 23 .9 mg/L 

BIOWIN (v4 .00) Program Results : 

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

SMILES : CCCCCC(O)C(N(CCO)C)CC(O)C(N(CCO)C)CCCCCCCC(=0)N(CCO)C 

CHEM : Linoleic acid, epoxidized, reaction product with methylethanolamine 

MOL FOR : C27 H57 N3 06 

MOL WT : 519 .77 

--------------------------- BIOWIN v4 .00 Results ---------------------------- 

Linear Model Prediction . Biodegrades Fast 

Non-Linear Model Prediction : Biodegrades Fast 

Ultimate Biodegradation Timeframe : Weeks-Months 

Primary Biodegradation Timeframe : Days-Weeks 

MITI Linear Model Prediction . Biodegrades Fast 

MITI Non-Linear Model Prediction : Does Not Biodegrade Fast 

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

TYPE I NUM I BIOWIN FRAGMENT DESCRIPTION I COEFF I VALUE 

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

Frag I 1 I Linear C4 terminal chain [CCC-CH3] I 0 .1084 I 0 .1084 

Frag I 5 I Aliphatic alcohol [-OH] I 0 .1587 I 0 .7937 

Frag I 1 I Amide [-C(=0)-N or -C(=S)-N] I 0 .2102 I 0 .2102 

Frag I 2 I Tertiary amine I -0 .2053 I -0 .4105 

Mo1Wtj * I Molecular Weight Parameter ~ I -0 .2475 

Constj * I Equation Constant I I 0 .7475 

RESULT I LINEAR BIODEGRADATION PROBABILITY I I 1 .2018 

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

TYPE I NUM I BIOWIN FRAGMENT DESCRIPTION I COEFF I VALUE 

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

Frag I 1 I Linear C4 terminal chain [CCC-CH3] I 1 .8437 1 1 .8437 

Frag ~ 5 I Aliphatic alcohol [-OH] I 1 .1178 1 5 .5890 

Frag ~ 1 I Amide [-C(=0)-N or -C(=S)-N] I 2 .6913 1 2 .6913 

Frag I 2 I Tertiary amine I -2 " 2229 ( -4 .4458 

MolWtl * I Molecular Weight Parameter I I -7 .3808 

RESULT I NON-LINEAR BIODEGRADATION PROBABILITY I I 0 .7869 
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 BIOWIN FRAGMENT DESCRIPTION I COEFF I VALUE 

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

Frag I 1 I Linear C4 terminal chain [CCC-CH3] I 0 .2983 I 0 .2983 

Frag I 5 I Aliphatic alcohol [-OH] I 0 .1600 I 0 .7999 

Frag I 1 I Amide [-C(=0)-N or -C(=S)-N] I -0 .0542 I -0 .0542 

Frag I 2 I Tertiary amine I -0 .2548 I -0 .5096 

MolWtj * I Molecular Weight Parameter I I -1 .1486 

Constl * I Equation Constant I I 3 .1992 

RESULT I SURVEY MODEL - ULTIMATE BIODEGRADATION I I 2 .5849 

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

TYPE I NUM I BIOWIN FRAGMENT DESCRIPTION I COEFF I VALUE 

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

Frag I 1 I Linear C4 terminal chain [CCC-CH3] I 0 .2691 I 0 .2691 

Frag I 5 I Aliphatic alcohol [-OH] I 0 .1294 I 0 .6472 

Frag I 1 I Amide [-C(=0)-N or -C(=S)-N] I 0 .2054 I 0 .2054 

Frag I 2 I Tertiary amine I -0 .2880 I -0 .5760 

MolWtj * I Molecular Weight Parameter I I -0 .7499 

Constl * I Equation Constant I I 3 .8477 

RESULT I SURVEY MODEL - PRIMARY BIODEGRADATION I I 3 .6436 

Result Classification : 5 .00 -> hours 4 .00 -> days 3 .00 -> weeks 

(Primary & Ultimate) 2.00 -> months 1 .00 -> longer 

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

TYPE I NUM I BIOWIN FRAGMENT DESCRIPTION I COEFF I VALUE 

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

Frag I 5 I Aliphatic alcohol [-OH] I 0 .1611 I 0 .8057 

Frag I 1 I Amide [-C(=0)-N or -C(=S)-N] I 0 .1266 I 0 .1266 

Frag I 2 I Tertiary amine I -0 .0848 I -0 .1697 

Frag I 4 I Methyl [-CH3] I 0 .0004 I 0 .0016 

Frag I 18 I -CH2- [linear] I 0 .0494 I 0 .8895 

Frag I 4 I -CH- [linear] I -0 .0507 I -0 .2027 

MolWtj * I Molecular Weight Parameter I I -1 .5463 

Constl * I Equation Constant I I 0 .7121 

RESULT I MITI LINEAR BIODEGRADATION PROBABILITY I I 0 .6169 

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

TYPE I NUM I BIOWIN FRAGMENT DESCRIPTION I COEFF I VALUE 

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

Frag I 5 I Aliphatic alcohol [-OH] I 1 .0041 I 5 .0207 

Frag I 1 I Amide [-C(=0)-N or -C(=S)-N] I 0 .8859 I 0 .8859 

Frag I 2 I Tertiary amine I -0 .8396 I -1 .6793 

Frag I 4 I Methyl [-CH3] I 0 .0194 I 0 .0777 

Frag I 18 I -CH2- [linear] I 0 .4295 I 7 .7309 

Frag I 4 I -CH- [linear] I -0 .0998 I -0 .3991 

MolWtj * I Molecular Weight Parameter I I-15 .0052 

RESULT I MITI NON-LINEAR BIODEGRADATION PROBABILITY I I 0 .3010 

A Probability Greater Than or Equal to 0 .5 indicates --> Readily Degradable 

A Probability Less Than 0 .5 indicates --> NOT Readily Degradable 
p. 39 

AOP Program (v1 .90) Results : 

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

SMILES : CCCCCC(0)C(N(CCO)C)CC(O)C(N(CCO)C)CCCCCCCC(=0)N(CCO)C 

CHEM : Linoleic acid, epoxidized, reaction product with methylethanolamine 

MOL FOR : C27 H57 N3 06 

MOL WT : 519 .77 

------------------- SUMMARY (AOP vl .90) : HYDROXYL RADICALS -------------------

Hydrogen Abstraction = 135 .7403 E-12 cm3/molecule-sec 

Reaction with N, S and -OH = 147 .7000 E-12 cm3/molecule-sec 

Addition to Triple Bonds = 0 .0000 E-12 cm3/molecule-sec 

Addition to Olefinic Bonds = 0 .0000 E-12 cm3/molecule-sec 

Addition to Aromatic Rings = 0 .0000 E-12 cm3/molecule-sec 

Addition to Fused Rings = 0 .0000 E-12 cm3/molecule-sec 

OVERALL OH Rate Constant = 283 .4402 E-12 cm3/molecule-sec 

HALF-LIFE = 0 .038 Days (12-hr day ; 1 .5E6 OH/cm3) 

HALF-LIFE = 27 .170 Min 

------------------- SUMMARY (AOP v1 .90) : OZONE REACTION ---------------------- 

****** NO OZONE REACTION ESTIMATION ****** 

(ONLY Olefins and Acetylenes are Estimated) 

Experimental Database : NO Structure Matches 

PCKOC Program (vl .66) Results: 

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

Koc (estimated) : 8 .69e+004 

SMILES : CCCCCC(O)C(N(CCO)C)CC(O)C(N(CCO)C)CCCCCCCC(=0)N(CCO)C 

CHEM : Linoleic acid, epoxidized, reaction product with methylethanolamine 

MOL FOR: C27 H57 N3 06 

MOL WT : 519 .77 

--------------------------- PCKOCWIN vl .66 Results --------------------------- 

First Order Molecular Connectivity Index . . . . . . . . . . . : 17 .225 

Non-Corrected Log Koc . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 9 .7822 

Fragment Correction(s) : 

1 N-CO-C (aliphatic carbon) . . . . . . . . . . . . . -0 .8112 

8 Nitrogen to Carbon (aliphatic) (-N-C) . . . -0 .9936 

2 Aliphatic Alcohol (-C-OH) . . . . . . . . . . . : -3 .0386 

Corrected Log Koc . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4 .9388 

Estimated Koc: 8 .686e+004 

HYDROWIN Program (v1 .67) Results : 

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

SMILES : CCCCCC(O)C(N(CCO)C)CC(O)C(N(CCO)C)CCCCCCCC(=0)N(CCO)C 

CHEM : Linoleic acid, epoxidized, reaction product with methylethanolamine 

MOL FOR : C27 H57 N3 06 

MOL WT : 519 .77 

--------------------------- HYDROWIN vl .67 Results --------------------------- 

AMIDE : -N-C(=0)-CCompound has an amide group; C=0 located at SMILES atom # : 30 

Hydrolysis Rate Extremely Slow or tl/2 > 1 Year 

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

BCF Program (v2 .14) Results : 

--------------------------- --------------------------- 
p. 40 

SMILES : CCCCCC(0)C(N(CCO)C)CC(O)C(N(CCO)C)CCCCCCCC(=0)N(CCO)C 

CHEM : Linoleic acid, epoxidized, reaction product with methylethanolamine 

MOL FOR : C27 H57 N3 06 

MOL WT : 519 .77 

--------------------------------- Bcfwin v2 .14 --------------------------------

Log Kow (estimated) . 0 .05 

Log Kow (experimental) : not available from database 

Log Kow used by BCF estimates : 0 .05 

Equation Used to Make BCF estimate : 

Log BCF = 0 .50 

Correction(s) : 

Correction Factors Not Used for 

Value 

Log Kow < 1 

Estimated Log BCF = 0 .500 (BCF = 3 .162) 

Volatization From Water 

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

Chemical Name : Linoleic acid, epoxidized, reaction product with methylethanolami 

e 

Molecular Weight . 519 .77 g/mole 

Water Solubility . ----- 

Vapor Pressure . ----- 

Henry's Law Constant : 1 .89E-022 atm-m3/mole 

RIVER 

Water Depth (meters) : 1 

Wind Velocity (m/sec) : 5 

Current Velocity (m/sec) : 1 

HALF-LIFE (hours) : 7 .062E+018 

HALF-LIFE (days ) : 2 .943E+017 

HALF-LIFE (years) : 8 .057E+014 

(estimated by Bond SAR Method) 

LAKE 

1 

0 .5 

0 .05 

7 .705E+019 

3.21E+018 

8 .789E+015 

STP Fugacity Model : Predicted Fate in a Wastewater Treatment Facility 

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

PROPERTIES OF : Linoleic 

e 

acid, epoxidized, reaction product with methylethanolami 

Molecular weight (g/mol) 

Aqueous solubility (mg/1) 

Vapour pressure (Pa) 

(atm) 

(mm Hg) 

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

Air-water partition coefficient 

Octanol-water partition coefficient 

Log Kow 

(Kow) 

Biomass to water partition coefficient 

Temperature [deg C] 

Biodeg rate constants (h^-1),half -life 

-Primary tank 0 .03 

-Aeration tank 0 .03 

-Settling tank 0 .03 

STP Overall Chemical Mass Balance : 

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

g/h 

Influent 1 .00E+001 

519 .77 

0 

0 

0 

0 

1 .89E-022 

7 .72954E-021 

1 .12202 

0 .05 

1 .0244 

25 

in biomass (h) and in 2000 mg/L MLSS (h) : 

20 .45 10000 .00 

20 .45 10000.00 

20 .45 10000.00 

mol/h percent 

1 .9E-002 100 .00 
p. 41 

Primary sludge 2 .52E-002 4 .9E-005 0 .25 

Waste sludge 1 .51E-001 2 .9E-004 1 .51 

Primary volatilization 1 .03E-019 2 .0E-022 0 .00 

Settling volatilization 2 .81E-019 5 .4E-022 0 .00 

Aeration off gas 6 .92E-019 1 .3E-021 0 .00 

Primary biodegradation 1 .76E-003 3 .4E-006 0 .02 

Settling biodegradation 5 .27E-004 1 .0E-006 0 .01 

Aeration biodegradation 6 .94E-003 1 .3E-005 0 .07 

Final water effluent 9.81E+000 1 .9E-002 98 .15 

Total removal 1 .85E-001 3.6E-004 1 .85 

Total biodegradation 9 .22E-003 1 .8E-005 0 .09 

Level III Fugacity Model (Full-Output) : 

Chem Name : Linoleic acid, epoxidized, reaction product with methylethanolam 

ne 

Molecular Wt : 519 .77 

Henry's LC : 1 .89e-022 atm-m3/mole (Henrywin program) 

Vapor Press : 2.18e-020 mm Hg (Mpbpwin program) 

Liquid VP : 1.Ole-017 mm Hg (super-cooled) 

Melting Pt : 295 deg C (Mpbpwin program) 

Log Kow : 0.05 (Kowwin program) 

Soil Koc : 0 .46 (calc by model) 

Mass Amount Half-Life Emissions 

(percent) (hr) (kg/hr) 

Air 0.000288 0 .906 1000 

Water 49 .2 900 1000 

Soil 50 .7 900 1000 

Sediment 0 .0916 3.6e+003 0 

Fugacity Reaction Advection Reaction Advection 

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

Air 3 .62e-026 5 .23 0 .0684 0 .174 0 .00228 

Water 2 .12e-027 899 1 .17e+003 30 38 .9 

Soil 7 .82e-026 927 0 30 .9 0 

Sediment 1 .96e-027 0 .419 0 .0435 0 .014 0 .00145 

Persistence Time : 791 hr 

Reaction Time : 1 .3e+003 hr 

Advection Time : 2 .03e+003 hr 

Percent Reacted: 61 .1 

Percent Advected : 38 .9 

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

Air : 0 .9058 

Water: 900 

Soil : 900 

Sediment : 3600 

Biowin estimate : 2 .585 (weeks-months) 

Advection Times (hr) : 

Air : 100 

Water : 1000 

Sediment : 5e+004