Form A pproved. O

.M .B. No. 2070-0012. A roval Expires 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 comlete 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 fromthe Toxic Substances Control Act (TSCA) Information Service by calling 202-554-1404, or faxing 202-554-5603). Ifa user fee has been remitted for this notice (40CFR700 .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 yourcorresponding fee remittance, which is sent to EPA, HQAccounting Operations Branch (PM-226), P .O . 360399M, j P b Part I-GENERAL INFORMATION You must provide the currently correct Chemical Abstracts (CA) Name ofthe new chemical substance, even ifyou claimthe identity as confidential . You mayauthorize anotherperson to submit chemical identity information for you, but your submission will notbe complete and the review will notbegin until EPAreceives this information. A letter in supportofyour submission should reference your TS user fee identification number. You mustsubmit an original and twocopies ofthisnotice includingall test data. Ifyou claimed any information as confidential, a single sanitized copymust also be submitted. Part II-HUMAN EXPOSUREANDENVIRONMENTAL RELEASE Ifthere are severalmanufacture, processing, or use operations to be described in Part II, sections Aand Bofthis notice, reproduce the sections as needed. Part III-LIST OF ATTACHMENTS Attach additional sheets ifthere is not enoughspace to answer a question fully . Label each continuation sheet withthe correspondingsection heading . InPart III, list these attachments, anytest data orother data and anyoptional information included in the notice. OPTIONAL INFORMATION Youmayinclude any information that youwant EPAto consider in evaluating the new substance. On page 11 ofthis form, spacehas been provided foryou to described pollution prevention and recycling information you may have regardingthe new substance . So-called "binding"boxes are included throughout this form foryou to indicate your willingnessto be boundto certain statementsyoumake inthis section, such as use, production volume, protective equipment . . . This option is intended to reduce delays that routinely accompany the development ofconsent orders or Significant New Use Rules

. Except in thecase ofexemption applications (such as TMEA, LVE, LOREX)where certaininformation provided in such notification is binding on the submitter whenthe Agency approves the exemption application, checkingabinding box in this noticed oes not by itselfprohibit the submitter fromlater deviating fromtheinformation (exceptchemical identity) reportedinthe form . CONFIDENTIALITY CLAIMS You may claimany information in this notice as confidential . To assert a claim on the form, mark (X) the confidential box next to the information that you claimas confidential . To assert a claimin an attachment, circle or bracket the information you claimas confidential . Ifyou claiminformation 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) ifany information in thisnotice is claimed as confidential . TEST DATAANDOTHERDATA Youare required to submit all test data in your possession orcontrol and to provide a description ofall other data known to or reasonably ascertainable by you, ifthese data are related to the health and environmental effects on the manufacture, processing, distribution in commerce, use, or disposal ofthe new chemical substance

. Standard literature citations may be submitted for data in the open scientific literature. Complete test data (written in English), not summaries ofdata, must be submitted if they do notanoear in the open literature. Youshould clearly identify whethertest data is on the substanceor on an analog. Also, the chemical composition ofthe tested material should be characterized. Following areexamples oftest data and otherdata. Data should be submitted according to therequirements of §720.50ofthe Premanufacture Notification Rule (40CFR 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 ofthe submitter ' A physical andchemical properties worksheet is locatedon the last page ofthis form . TYPE OF NOTICE (Check Only One) ® 

# Ts-uuuuu u to or reasonably ascertainable byyou. Make reasonable estimates ifyou do

PMN(Premanufacture Notice) IN1ERMEDIATE PMN(submitted in sequencewithfinal product PMN) SNUN (Significant New

Use Notice) TMEA(Test Marketing Exemption Application) ' LVE (LowVolume Exemption) © 40CFR723.50®(l) - LOREX(Low

Release/Low

Exposure Exemption) rr 40CFR723.50®(2) LVE Modification IS THIS A CONSOLIDATED PMN? # ofchemicals 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 110hours per response, includingtime for reviewing instructions, searching existing data sources, gathering andmaintaining thedata needed,and completing and reviewing the collection of ` information

. Send comments regarding the burden estimate or anyother aspect of this collection ofinformation, 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 ; andto the Office ofManagement and Budget, Paperwork ReductionAct (2070-0012), Washington, D .C. 20503 . 

## CERTIFICATION I certify that to the best of1'rlq`knowledgs an* 

### 1 . The company named in Part I, sectionA, subsection la ofthis notice form intends to manufacture or import for a commercial purpose, other than in small quantities solely for research anddevelopment, the substance identified in Part I, Section B

. 2 . All information provided in this notice is complete andtruthful as ofthe 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 knownto or reasonably ascertainable by me as required by §720.50 ofthe Premanufacture Notification Rule. Additional Certification Statements: Ifyouare submitting a PMN, Intermediate PMN, Consolidated PMN, or SNUN, checkthefollowing user fee certification statementthat applies: ® The Company named in Part 1, Section Ahas remitted the fee of$2500specified in 40 CFR700 .45(b), or 0The Company named in Part 1, Section Ahas remitted the fee of$1000for an Intermediate PMN(defined @ 40 CFR 

### 700 .43) in accordance with 40 CFR700.45(b), or 0The Company named in Part I Section Ais a small business concernunder 40 CFR700 .43 and has remitted afee of $100 in accordance with 40 CFR700 .45(b) . Ifyouare submitting a low volume exemption (LVE)application in accordance with 40 CFR723.50©(1) or a Low release and low exposure exemption (LoRex) application in accordancewith 40 CFR723.50©(2), check the following certification statements: r] The manufacturer submitting this notice intends to manufacture or import the new chemical substance forcommercial purposes, other than in small quantities solely for research and development, under the terms of40 CFR723.50 . R The manufacturer is familiar with the terms of this section andwill comply with those terms ; and

~ The new

chemical substance for which the notice is submitted meets all applicable exemptionconditions.

~ If this application is for an LVEin accordance with 40 CFR723.50C(1), the manufacturer intends to commence manufactureofthe exempted substance for commercial purposes within 1 year ofthe date ofthe expiration ofthe 30 day 

### review period. The accuracy of the statements you make in this notice should reflectyour best prediction of the anticipated facts regarding the chemical substance described herein. An knowing and willful misinterpretation is subject to criminal p enal ty pursuant to 18 USC 1001 . Confidential Signature and title ofAu ~cial (Original Signature R ) Date 

# Y-7 'Dec_ 2002 Signatureofagent - (ifapplicable) Date

EPA FORM

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

### Part I -- GENERAL INFORMATION Mark Qthe Confiaenttar' box next to an subsection ou claimas confidential dential la. Person Name ofauthorized official Position Submitting 

### Notice (in U

.S.) David R. Ha PhD . Re ulato Com liance Director Company 

### Huntsman Corp

oration Mailing address (number and street) - 

### 8600 Gosling Road City, State, ZIPCode 

### The Woodlands TX 77381

_ b . Agent (if Name ofauthorized official Position applicable) Company

Mailing address (number and street) City, State, ZIPCode Telephone Area Code Number c. Ifyou are submitting this notice as part ofajoint 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 AreaCode Number 2 . Technical Name ofauthorized official Position Contact (in 

### U .S.) David R. Ha PhD . Regulatory Com pliance Director Company 

### Huntsman Corp

oration Mailing address (number and street) 

### _ 8600 Gosling Road City, State, ZIPCode Telephone Area Code Number 

### The Woodlands, TX 77381 281 719-3026 3. Ifyou havehada prenotice communication (PC) concerning this notice and EPAassigned aPC Number to the notice, enterthe number. Mark (X) -i ® ifnone 4. Ifyou previously submitted anexemption application for the chemical substancecovered by this notice, enter the exemption numberassigned by Mark (X) ----i EPA . Ifyou previously submitted a PMNfor this substance enter the PMN ® number assigned by EPA(i .e. withdrawnor incomplete). -- if none 5. Ifyou have submitted anotice of Bona fide intent to manufacture orimport _ for the chemical substance covered by this notice, enter the notice number Mark (X) ---i assigned by EPA

. - ® ifnone 6. Type ofNotice - Mark (3t) 1. Manufacture 2. Import Only Only 3. ~ Both Binding Option ~ Binding 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 acurrently correct Chemical Abstracts (CA) name ofthe substance basedon the ninth Collective Index 9CI) of CA nomenclature rules and conventions. Mark (X) the "Confidential" box next to an itemyou claimas confidential Complete either item1 (Class 1 or 2 substances) or 2 (Polymers) as appropriate. Complete all other items. Ifanother person will submit chemical identity information foryou (for either ItemI or 2), mark (X) the box at the right. ConfiIdenti the name, com

p any, and address ofthat p erson in a continuation sheet. 0 dential 1 . Class 1 or 2chemical substances (for definitions ofclass 1 and class 2substances, see the Instructions Manual) a. Class ofsubstance - Mark (X) I [] Class I or 2 ® Class 2 b. Chemical name (Currently correct Chemical Abstracts (CA) Name that is consistent with TSCAInventory listings for similar substances. For Class I substances a CA Index Name must be provided. For Class 2substances either a CAIndex Name or CAPreferred 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 ofthe Identification ~ Method 2 (Other Source) ]a report obtained fromthe 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 2substance -(1) List the immediate precursor substances with their respective CAS Registry Numbers. (2) Describe the nature ofthe reaction orprocess. (3) Indicate the range ofcomposition and the typical composition (where appropriate). (4) Provide a correct representative or partial chemical structure diagram, as complete as can be known, ifone can be reasonably ascertained.



# See Attachment 2

® Mark (X) this box ifyou 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 ofpolymer, see the Instructions Manual .) Confidential a. Indicate the number-average weight ofthe lowest molecular weight composition ofthe polymer you intend to manufacture. Indicate maximumweight percent of lowmolecular weight species (not including residual monomers, reactants, or solvents) below 500and below1,000absolute molecularweight ofthat composition. Describe the methods ofmeasurement or the basis for your estimates: GPC El Other r] : (Specify) _ i) lowest number average molecular weight : ii) maximum

weight %

below500molecular weight: iii) maximum

weight %

below1000 molecular weight : Mark (X) this box ifyou 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 itemyou claimas confidential (1) - Provide the specific chemical name and CAS Registry Number (ifa number exists) ofeach monomer or other reactant used in the manufacture of

the polymer. (2) - Mark (X) this column ifentry in column (1) is confidential . (3) - Indicate the typical weight percent ofeach monomer or other reactant in the polymer. (4) - Mark (X) the identitycolumn ifyou want a monomer orother reactant used at two weight percent or less to be listed as part ofthe polymer

description on the TSCAChemical Substance Inventory. (5) - Mark (X) this column ifentries 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 ifen 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 ifyou 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 ofthe identification report E] Method 2 (other source) obtained fromCAS InventoryExpert 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 TSCAInventory listings for similar polymers. e . Provide a correct representative or partial chemical structure diagram, as complete as can be known, ifone can be reasonably ascertained.

E] Mark (X) this box ifyou 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 ifavailable. Ifthere are unidentified impurities, enter "unidentified." % . (b) - Estimate the maximum wei ght %

of each im

puri ty. Ifthere are unidentified im purities, estimate their total wei ght Impurity and CAS Registry Number

(a) Maximum percent (b) Confidential 

### Diethanolamine CAS # 111-42-2 5°i° °i°

°i°

Mark (X) this box ifyou attach a continuation sheet. 4 . Synonyms - Enter any chemical synonyms forthe newchemical identified in subsection 1 or 2 . Confidential

Mark (X) this box ifyou attach a continuation sheet. 5. Trade identification - List trade names for the new chemical substance identified in subsection 1 or2. Vegetable Oil Reactive Polyol Mark (X) this box ifyou attach a continuation sheet. 6 . Generic chemical name - Ifyou claimchemical identify as confidential, you must provide a generic name foryour substancethat reveals the specific chemical identity ofthe new chemical substance to themaximum extent possible. Referto the TSCAChemical Substance Inventory, 1985 Edition, Appendix B for guidance on developing generic names.

Mark (X) this box ifyou attach a continuation sheet. 7. Byproducts - Describe any byproducts resulting fromthe manufacture, processing, use, or disposal ofthe new chemical substance. Provide the CAS Registry Number ifavailable. Byproduct (1) CASRegistry Number (2) Confidential 

### Glycerine 56-81-5

Mark (X) this box ifyou attach a continuation sheet.

EPAFORM

7710-25 (Rev. 5-95) Page 6

## . Part I -- GENERAL INFORMATION-- Continued

Section C-- PRODUCTION, IMPORT, ANDUSE INFORMATION : Mark (X) the "Confidential" box next to an itemy ou claimas confidential . l . Production volume -- Estimate the maximum production volume during thefirst 12 months of production. Also estimate the maximum production volume for anyconsecutive 12-month period during the first threeyears of production. Estimates should be on 100%new chemical substance basis. Fora Low Volume Exemption application, ifyou choose to have your notice reviewed at a lower production volume than 10,000 k r, speci fy the volume and mark (x) in the binding box. If ranted, you are bound to this volume Maximum

first 12-month production (kg/yr) Maximum12-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 ofthecategory ofuse, the percent ofproduction 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 claimas confidential . a . (1) -- Describe each intended category ofuseofthe 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 oftotal production for the first three years devoted to each category ofuse . (5) -- Mark (X) this column if entry in column (4) is confidential business information (CBI) . (6) -- Estimate the percent ofthe new substanceas formulated in mixtures, suspensions, emulsions, solutions, or gels as manufactured for commercial purposes at sites underyour control associated with each category ofuse . (7) -- Mark (X) this column ifentry in column (6) is confidential business information (CBI). (8) -- Indicate %

of product volume expected for the listed "use" sectors. Mark more than one box ifappropriate . Mark (X) to indicate your willingness to have the use type provided in (8) binding. (9) -- Mark X) this column ifent (ies) in column (8) is (are) confidential business information (CBI ). Category ofuse (1) CBI Binding Produc- CBI % in CBI % ofsubstance 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 O ption (9 

### X 100 100 100

% % % % % % %

" Ifyou have identified a "consumer" use, please provide on a continuation sheet a detailed description of the use(s) ofthis chemical substance in consumer products_ In addition include estimates ofthe concentration ofthe new chemical substance as expected in consumer products and describe the chemical reactions by which this substance loses its identity in the consumerproduct. 11 Mark (X) this box ifyou attach a continuation sheet. b. Generic Ifyou claimany category ofuse description in subsection 2a as confidential, enter a generic description ofthat category. Read the use Instructions Manual for examples ofgeneric use descriptions. 

### description Polyol for flexible and rigid polyurethane foamapplications.

~ Mark (X) this box ifyou attach a continuation sheet . 3 . Hazard Information - Include in the notice a copy ofreasonable facsimile ofany 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, transport, use, or disposal ofthe new substance. List in part III hazard information you include. M°`~`("> ®Mark (X) this box ifyou 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 itemyou claimas confidential 

### Complete sectionA

for each type ofmanufacture, processing, or use operation involvingthe new chemical substanceat industrial sitesyou 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 processingor useoperations after im port. Youmust describe these o perations. Seeinstructions manual l . Operationdescription Confia . Identi ty -- Enter the identi ty ofthesite at whichthe o p erationwill occur. dential Name 

### Huntsman Corporation Site address (number and street) 

### 3892 US Highway 90W City, County, State, ZIP code 

### Dayton, Liberty, TX 77535 Ifthesame operationwill occur at more than one site, enter the number ofsites. Identify the ; additional sites on acontinuation sheet, and ifany ofthe 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 ifyou attach a continuation sheet . 

### b . Type -- Mark (X) ® Manufacturing ~ Processing ~ Use c. Amount and Duration -- Com p lete 1 or 2as approp

riate Maximum

kg/batch (too^inew

chemical ; Hours/batch ; Batches/year substance) i 1 . Batch Maximum kg/batch (I000/anew

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) Diagramthe major unit operation steps and chemical conversions. Include interimstorage and transport containers (specify- e.g. 5gallon pails, 55gallon 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 ofall products, recycle streams, and wastes. Include cleaning chemicals (note frequency if not used dailyor per batch.) . (3) Identify by number the points ofrelease, including small or intermittent releases, to the environment ofthe new chemical substance.

®Mark (X) this box ifyou attach a continuation sheet . See Attachment 2 EPA FORM

7710-25 (Rev. 5-95) Page 8

### p. 9



## Part II-- HUMAN EXPOSURE ANDENVIRONMENTAL RELEASE -- Continued Section A-- INDUSTRIAL SITES CONTROLLED BY THE SUBMITTER - Continued 2. Occupational Exposure - You must make separate confidentiality claims for the description ofworker activity, physical formof the newchemical substance, number ofworks exposed, and duration ofactivity. Mark (X) the "Confidential" box next to any itemyou claimas 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 ifentry 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) ofthe new chemical substance (e.g., solid: crystal, granule, powder, or dust) and % new chemical substance (ifpart of a mixture) at the time of exposure. (7) --Mark (X) this column ifentry in column (5) is confidential business information (CB0. (8) --Estimate the maximum number ofworkers involved in each activity for all sites combined. (9) --Mark (X) this column ifentry in column (8) is confidential business information (CBI) . (10) and (11) -- Estimate the maximumduration ofthe activity for any worker in hours per day and days per year . (12) -- Mark (X) this column ifentries 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, 

### Nomexoveralls

~ Mark (X) this box ifyou attach a continuation sheet. 3 . Environmental Release and Disposal -- You must make separate confidentiality claims for the release number and the amount ofthe newchemical substance released and other release and disposal information. Mark (X) the "Confidential" box next to each itemyou claimas confidential . (1) --Enter the number ofeach release point identified in the process description, part II, section A, subsection ld(3) . (2) -- Estimate the amount ofthe new substance released (a) directly to the environment or (b) into control technology (in kg/day or kg/batch). (3) -Mark (X) this column ifentries 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 newsubstance will be released fromthat release point. (5) -a. Describe control technology, ifany, and control efficiency that will be used to limit the release of the new substance to the environment . For releases disposed ofon land, characterize the disposal method and state whether it is approved for disposal of RCRAhazardous waste . On a continuation sheet, for each site describe any additional disposal methods that will beused 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 ifentries 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 ofthe POTW (Publicl Owned Treatment Works) . Mark (X) ifthe POTW name or NPDES # is confidential business information (C 0 . Release Amount ofnew substance CBI Mediaof 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 ifyou attach a continuation sheet . EPA FORM

7710-25 (Rev. 5-95) Page 9

### p. 10



## Part II-- HUMANEXPOSURE ANDENVIRONMENTAL 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 anyprocessing or use activities after import. See the Instructions Manual . Complete a separate section Bfor each type ofprocessing, or rise operation involving the new chemical substance. Ifthe same operation is performed at more than one site .describe the typical op eration common to these sites. Identi fy additional sites on a continuation sheet. 1 . Operation Description -- To claiminformation 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 interimstorage and transport containers (specify - e.g. 5gallon 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 ofall feedstocks (including reactants, solvents and catalysts, etc) and all products, recycle streams, and wastes. Include cleaning chemicals (note frequency ifnot used dailyor per batch) . (3) -- Identify by number the points ofrelease, including small or intermittent releases, to the environment ofthe newchemical substance. (4) Please enterthe # ofsites (remember to identify the locations of these sites on a continuation sheet) : 1 # of sites



### "*** CONFIDENTIAL ® Mark (X) this boxifyou attach a continuation sheet. 2. Worker Exposure/Environmental Release (1) --From

the diagramabove, provide the letter for each worker activity. Complete 2-8 for each worker activity described. (2) -Estimate the number ofworkers exposed for all sites combined. (4) -Estimate the typical duration ofexposure per worker in (a) hours per day and (b) days per year. (6) -Describe physical form ofexposure and %

new chemical substance (ifin mixture), and any protective equipment andengineering controls, ifany, used to protect workers. (7) --Estimate the percent ofthe new substance as formulated when packaged or used as a final product. (9) --Fromthe process diagramabove, enter the number of each release point. Complete 9-13 for each release point identified. (10) -- Estimate the amount ofthe new substance released (a) directly to the environment or (b) into control technologytothe 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 offsite land or incineration, POTW, or other (specify) and control technology, ifany, that will be used to limit the release ofthe new substance to the environment. (14) - Identify byproducts which may result fromthe operation. 3), 5), (8), (11 ) , 13) and (15) - Mark this column ifan ofthe 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 EngineeringControls/ Form- Number New & Control Act- Exposed Exposure Physical Formand % 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 ! W aste Tank rubber gloves, Nomex I 

### 1 day B 1 0.5 5 Hard hat, safety glasses, 5 - 20 2 0 .01 kg W aste 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 ifyou attach a continuation sheet. EPA FORM

7710-25 (Rev. 5-95) Page 10

# OPTIONAL POLLUTIONPREVENTION INFORMATION

To claiminformation in this section as confidential circle or bracket the specific information that y ou claim as confidential . 

## In this section you may provide information not reported elsewhere in this formregarding your efforts to reduce or minimize potential risks associated with activities surrounding manufacturing, processing; use and disposal of the PMNsubstance. 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 ofpollution 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 informationto assess overall net reductions in toxicity or environmental releases and exposures, not the shifting ofrisks to other environmental media or non-environmental areas (e.g., occupational or consumer exposure) . In addition, information on the relative cost or performance characteristics ofthe PMNsubstance to potential alternatives may be provided. All information provided in this section will be taken into consideration during the reviewof this substance

. See Instructions Manual and Pollution Prevention Guidance manual for guidance and exam p les. Describe the expected net benefits, such as (1) an overall reduction in risk to humanhealth or theenvironment; (2) areduction in the volume manufactured; (3) a reductionin the generation ofwastematerials through recycling, source reduction or other means; (4) a reduction in potential toxicity or humanexposure and/or environmental release; (5) an increase in product performance, adecrease in the cost of production and/or improved operationefficiency ofthe 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 asubstitute foran existing substance that poses a eater overall risk to human health orthe environment.



## *** CONFIDENTIAL *** ® Mark (X)this box ifyou 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 ofthe formand 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 ofthe form to which it relates, ifappropriate. Number consecutively the pages ofthe attachments. In the column below, enter the inclusive page numbers ofeach attachment. Mark (X) the "Confidential" box next to any attachment name you claimas 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 ofthe notice form a sanitized version ofan attachment in which you claiminformation as confidential . Attachment name Attachment a e number(s) Confidential 

### A ttachment 1 - MSDS 14 A ttachment 2 - Synthetic Details / Reaction Schemewith Structures 20 A ttachment 3 - CAS IES Report 22 A ttachment 4 - NMRSpectra 23 A ttachment 5 - Sustainable Futures Discussion 24 A ttachment 6 - EPIWIN Report - PMN Substance 26 A ttachment 7 - EPIWIN Report - Surrogate 34

E]Mark (X) this box ifyou attach a continuation sheet . Enter the attachment name and number. EPA FORM

7710-25 (Rev. 5-95) Page 12

### PHYSICAL ANDCHEMICAL PROPERTIES WORKSHEET

To assist EPA's ieview

ofphysical and chemical properties data, please complete the following worksheet for data you provide and include it in the notice. Identifythe property measured, the page ofthe notice on which the property appears, the value ofthe property, the units in which the property is measured (as necessary), and whether or not the property is claimed as confidential . The physical state ofthe 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 (% PIvINsubstance in_J . You are not required to submit thisworksheet; however, EPAstrongly recommends that you do so, as it will simplifyreview and ensure that confidential information is properly protected. You should submit this worksheet as a supplement to your submission oftest data. This worksheet is not a substitute for submission oftest data. Property Mark Page Value Measured o Conrdenmial (X) if number Estimate Mark ()Q (a) provided (b) (C) (d a 

## M Physical state ofsubstance (s) X (1) (g) 

## <1 mm H9 E Vapor pressure P, Tem perature 20 OC 

## M Density/relative density @ 25.0 °C 9 .14 I bSl 11 

## M Solubility 0% @ Temperature 30 °C Solvent Hexane 

## M Solubility inwater < 80% 30 °C Meltingtem

perature Boilingran

g e 

## X NMR M Sp ectra Dissociation constant Particle size distribution Octanol/water p

artition coefficient Henry's Law

constant Volitalization from

water Volitalization from

soil H concentration of 1%(in H20 : 2- ro anol mix of 6 : 10) Flammabili ty - Flash Point (Pens -Martens Closed Cup ) Ex lodabili - Lowerexp losion limit Other - U

pp er exp losion limit o Other - I ition tem

p erature 

## 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 Componentof a Polyurethane System Huntsman Petrochemical Corporation

P.O . Box 4980 The Woodlands, TX77387-4980 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~ _ . IIs L ;eaks FireorExposure Call Chemtrec: ,(800) 424-9300," SI 

## 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 CFR1910.1200) . Emergency overview : WARNING! CAUSES RESPIRATORY TRACT, EYEANDSKIN IRRITATION. Irritating to eyes, respiratory systemand skin . Avoid breathing vaporor mist. Avoid contactwith 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

### VEGETABLEOIL REACTNE POLYOL, EXPERIMENTAL



# ~ 4 . First aid measures Eye contact Skin contact Inhalation 

### Ingestion Notes to physician Immediatelyflush eyes with plenty of water, occasionally lifting the upper and lower eyelids. Checkfor 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 warmand at rest . If not breathing, if breathing is irregularor 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 mouthwith 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 persistor are severe. Nevergive anything by mouth to an unconscious person. : Symptomatic and supportive therapy as needed. Following severe exposure medical follow-up should be monitoredforat least 48 hours. 

# 1 5 . Fire-fighting measures Flash point Products of combustion Extinpuishing media Suitable Notsuitable Special exposure hazards Special protective equipment forfire-fighters : Closed cup: >93.33°C (>200°F) : No specific data. : Use an extinguishing agentsuitable 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 fromthe vicinity of the incident if there is afire. No action shall be taken involving anypersonal 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 Methodsfor cleaning up : No action shall be taken involving any personal risk or without suitable training. Evacuate surrounding areas. Keep unnecessaryand unprotected personnel fromentering. 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 contactwith soil, waterways, drains and sewers. Informthe relevant authorities if the product has caused environmental pollution (sewers, waterways, soil or air). : Stop leak ifwithout risk. Move containers fromspill area. Approach release fromupwind. Prevententry into sewers, watercourses, 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 forwaste disposal .

3/26/2008

. Page: 216

### VEGETABLE OIL REACTIVE POLYOL, EXPERIMENTAL 

# 1 7 . H andling and storage Handling : Puton 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 breathevapor or mist . Do not ingest. Avoid contactwith eyes, skin and clothing. Use only with adequate ventilation. Wear appropriate respirator when ventilation is inadequate. Keep in the original containeror an approved alternative made froma compatible material, kept tightly closed when notin 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 andwell-ventilated area, away fromincompatible 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 unlabeledcontainers. 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 exhaustventilation to maintain airborne concentrations below the TLV . Suitable respiratory equipmentshould be used in cases of insufficient ventilation or where operational procedures demand it. Forguidance on engineering control measures refer to publications such as the ACGIHcurrent 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 indicatesthis is necessaryto avoid exposure to liquid splashes, mists, gases or dusts . Skin : Personal protective equipment for the body should be selected based on thetask 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 timeswhen 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 : Notavailable. Important health, safety and environmental information pH : Notavailable. Boiling point : Notavailable . Melting point : Notavailable . 312612008

. Page: 316

### VEGETABLEOIL REACTII/E POLYOL, EXPERIMENTAL 

# 1 9 . Physical and chemical properties Flash point Oxidizing properties Vapor pressure Relative density Octanollwater partition coefficient Vapor density VOCcontent : Closed cup: >93.33°C (>200°F) : Not available

. : Not available

. : Notavailable. : Notavailable. : Notavailable. : Notavailable. 

# 10 . Stability and reactivity Stability and reactivity Hazardous polymerization Hazardous decomposition products : The productis stable. Notavailable. 

### : No specific data. 

# 11 . Toxicological information Toxicitv data Potentialacute 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 andanyregional local authority requirements. Avoid dispersal of spilled material and runoff and contact with soil, waterways, drains and sewers.

312612008

. Page: 416

### VEGETABLEOIL REACTIVE POLYOL, EXPERIMENTAL 

# 1 14 . Transport information Transportation Emergency Number 1-800-424-9300 (CHEMTREC) . R egulatory 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 Developmentor Export Only*** CERCLA: Hazardous substances. : No ingredients listed. SARA 313 No ingredients listed. This productdoes notcontain nor is it manufactured with ozone depleting substances. California Prop 65 : No ingredients listed. Canada WHMIS (Canada) : Class D-2B: Material causing other toxiceffects (Toxic) . CEPA (DSL) : Canada inventory: At least one component is not listed. This product has been classified according to the hazard criteria of the CPRand the MSDS contains all the information required by the CPR . 

# 16 . Other information Label requirements : CAUSES RESPIRATORY TRACT, EYEANDSKIN 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, NOTHINGHEREIN IS TOBE CONSTRUEDASA WARRANTY, EXPRESS OR OTHERWISE

. IN ALL CASES, 1T IS THE RESPONSIBILITY OF THE USER TO DETERMINE THE APPLICABILITY OF SUCH INFORMATIONAND RECOMMENDATIONS ANDTHE SUITABILITY OF ANYPRODUCT FOR ITS OWN PARTICULAR PURPOSE

. THE PRODUCT MAYPRESENT HAZARDS ANDSHOULD BE USED W1TH CAUTION . WHILE CERTAINHAZARDSARE DESCRIBEDIN THIS PUBLICATION, NOGUARANTEEIS MADE THAT THESEARE THE ONLYHAZARDS THATEXIST . Hazards, toxicity, and behavior of the products may differ when used with other materials andare dependent upon the manufacturing circumstances or other processes. Such hazards, toxicity and behavior should be determined by the user andmade known to handlers, processors and endusers . 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 MAYCONTAIN INFORMATIONTHAT IS NOLONGER CURRENTORACCURATE. NO PART OF THIS DATA SHEET MAYBE REPRODUCED OR TRANSMITTED 1N ANYFORM, OR BYANYMEANS, WITHOUT PERMISSION IN WRITING FROM HUNTSMAN

. ALL REQUESTS FOR PERMISSION TO REPRODUCE MATERIAL FROM

THIS DATA SHEET SHOULD BE DIRECTED TOHUNTSMAN, MANAGER, PRODUCT SAFETY, AT THEABOVEADDRESS .

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: FATTYACID 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 formepoxide 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 formthe 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 DEAwith epoxidized oleic acid and epoxidized linoleic acid are shown as representative PMNsubstances 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 formthe 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 PMNsubstance componentwill 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 ExpertService Adivision 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 programas described in 67 FR 76281 (11 Dec. 2002) . This is the first such submission for Huntsman Corp. Others will followtodemonstrate 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 programwas run for the primary component of the PMNsubstance, 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 PMNsubstance 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 lowconcern 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. Theworst predicted chronic toxicity endpoint was the ChronicValue (ChV) for Green Algae at 221 ppm . This is also well above the 10 ppmlow

concern level for chronic ecotoxicity. Biodegradation is predicted to be fast. The Bioconcentration Factor (BCF) = 3.162. Based upon these data from EPIWIN, the PMNsubstance 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 ofvia deepwell injection. The primary

### potential for exposure occurs when the PMN substance is reacted with an isocyanate to forma 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 foamis 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 protectivefor the PMNsubstance. For examle, if the polyol / isocyanate systemwere used to spray-apply polyurethane foaminsulation during the retrofit of an old home (spraying the foamin between the wall studs), the sprayman would wear gloves, a Tyvecsuit, boots and an air-supplied respiratorwith hood to prevent exposure to the isocyanate vapors. Based upon this, the exposure to the PMNsubstance is predicted to be of LOW CONCERNand the overall risk (considering both hazard and exposure) is LOW . C . Alternative Molecule(s) Considered One alternative moleculewas 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 performas 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 PMNsubstance. However the ECOSAR results indicate itwas still of lowhazard concern with the lowest acute toxicity endpoint being 140 ppmand the lowest chronic value being 20 PPM . While these ECOSAR results indicated a lowhazard potential for both human health and ecological effects, this alternative molecule was rejected because its performance characteristics were inferior to the PMNsubstance. D . Perspective on the P2 Framework Tools The mostvaluable 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 PMNsubstance 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 lowhazard and the limited duration of the substance. When used, it is reacted with an isocyanate to forma foamarticle and is thus incorporated into the polymeric matrix. The only exposurewould 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 formof engineering controls and PPE is used to protect the sprayman fromisocyanate exposurewhich is more than adequate to protect himfrom the PMNsubstance.

# 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 LOGKOWFRAGMENT 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 (WSKOWv1 .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 ---------------------------------- WSKOWv1 .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 Kowcutoff : none Green algal EC50 toxicity log Kow cutoff : none Chronic toxicity log Kowcutoff : 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 LAWCONSTANT 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 Kowused 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 lawconstant (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 Kowused 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 Kowcutoff : 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 LAWCONSTANT 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)-C

### Compound 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 Kowused 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 neMolecular 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