!-: '· 

### / 11111111111111111111111111111111111111111111 PMN2011P1 

### PMN Page 1

FormApproved. U.S. ENVIRONMENTAL PROTECTION AGENCY Date ofreceipt: 

# E F**11111111111111111111111111111111111111111111111111111111111111111\l~**\IIIII 51110000204.1"' 

# CompanySanitized
When completed. send th1s form to

87 CK478444 tics

GENERAL INSTRUCTIONS 

### Submission Re ort Number PROC110207243555108 TS Number P1001C

• You must provide all information requested Inthisform to the extentthat it is known to or reasonably ascertainable by you. Make reasonable estimates W you do not have actual data. • Before you complete thisform, you should read the "Instructions Manualfor Premanufacture Notification· (the Instructions Manual is availablefrom the Toxic Substances Control Act (TSCA) Information Service by calling 202-554-1404, orfaxing 202-554-5603). • ifauserfee has been remittedforthis notice (40 CFR 700.45), Indicate Inthe boxes above the TS-userfee identification numberyou have generated. Remember, youruserfee ID number must also appearon yourcorrespondingfee remittance. For mailing address information see the Help instructions inthe e-PMN tool.
Part 1-GENERAL INFORMATION You must providethe currently correct ChemicalAbstracts (CA) Name ofthe new chemical substance, even ifyou claim the identity as confidential. You may authorize anotherperson to submitchemical identity information foryou, butyoursubmission will not becomplete andthe review will notbegin until EPA receivesthis information. A letterin supportofyoursubmission should referenceyourTS userfee identification number. Forall Section 5 Notice submissions (paperorelectronic) you must submitan original notice including all testdata; ifyou claimed any information as confidential, an original sanitized copy mustalso be submitted. Part II- HUMAN EXPOSURE AND ENVIRONMENTAL RELEASE Ifthere are several manufacture, processing, oruse operationsto be described in Part II, sectionsA and B ofthis notice, reproduce the sections as needed. Part Ill- LIST OF ATTACHMENTS For papersubmissions, attach additional sheets ifthere is not enough space to answera question tully. Label each continuation sheetwith thecorresponding section heading. In Part Ill, listthese attachments, any testdata orotherdata and anyoptional information included in the notice. OPTIONAL INFORMATION You may include any information thatyou want EPAto consider in evaluating the new substance. On page 11 ofthisform, space has been providedforyou to describe pollution prevention and recycling information you may have regardingthe newsubstance. "Binding" boxes are included throughoutthis formforyou to indicate yourwillingness to be bound to certain statements you make in this section, such as use, production volume, protective equipment•.• The intention isto reduce delaysthat routinely accompanythe developmentofconsentorders orSignificant New Use Rules. Checking a "binding" box in a PMN does not by itself prohibitthe submitterfrom laterdeviating from the information (exceptchemical identity) reported in the form; however, in the caseofexemption applications (such as TMEA, LVE, LOREX) certain information provided in such notifications is binding on the submitterwhen theAgency approves the exemption application, especially ifthe production volume "binding" box is chosen in a LVE. CONFIDENTIALITY CLAIMS You may claim any information in this notice as confidential. To asserta claim on theform, mark (X) the confidential box nextto the information that you claim as confidential. To assert a claim in an attachment, circle or bracketthe information you claim as confidential. Ifyou claim information in the notices as confidential. you mustalso provide a sanitized version ofthe notice. (including attachments). Foradditional instructions on claiming information as confidential, read the Instructions Manual.
EPA FORM 7710-25 (Rev. 6-09) TEST DATA AND OTHER

# DA~111 0000204 P-11·0204 You are required to submitall testdata in your possession orcontrol and to provide a description ofall otherdata known to or reasonably ascertainable byyou, ifthesedata are related to the health and environmental effects on the manufacture, processing, distribution in commerce, use, ordisposal ofthe newchemical substance. Standard literaturecitations may be submitted fordata in the open scientific literature. Completetestdata !written in English). not summaries ofdata. mustbe submitted ifthey do notappearin theopen literature. You should clearly identifywhethertestdata is on the substanceoron an analog. Also, the chemical composition ofthetested material should becharacterized. Following are examples oftestdata and otherdata. Data should be submitted according tothe requirements of §720.50ofthe Premanufacture Notification Rule (40 CFR Part720). 

# D 

# D 

# 0 D 

# D 

# 0 

# D D D D D D D D Test Data (Check Belowany Included Inthis notice) Environmental fate data 

# 0 Other Data
Health effects data 

# 0 RiskAssessments Environmental effects data 

# 0 Structure/activity relationships

Physical/Chemical Properties (A physical and chemical propertiesworksheet is located on the last pageofthis form.) Testdata not in the possession orcontrol ofthe submitter
TYPE OF NOTICE (Check Only One) PMN (Premanufacture Notice) SNUN (Significant New Use Notice) TMEA (Test Marketing Exemption Application) LVE (lowVolume Exemption)@ 40 CFR 723.50(c)(1) 

### r LOREX (Low Release/Low Exposure Exemption)@ 40 CFR**723.5~2)** LVE Modification LOREX Modification Mock Submission Mark (X) ifpending Letter ofSupport IS THIS A CONSOLIDATED PMN (Y/N)? #ofchemicals orpolymers (Prenotice Communication # required, enter#on p. 3). Mark (X) ifany information in this notice is claimed as confidential. Replaces previous editions ofEPA Form 7710-25 Page2 

# P-11-0204t 

### ( 11111111111111111111111111111111111111111111 SANITIZED SUBMISSION PMN2011P2 

### PMN Page 2 The public reporting and recordkeeping burden forthis collection of information is estimated to average 93 hours per response. Send comments on the Agency's need forthis information, the accuracy ofthe provided burden estimates, and any suggested methods for minimizing respondent burden, including through the use ofautomated collection techniques to the Director, Collection Strategies Division, U.S. Environmental ProtectionAgency (2822T), 1200 PennsylvaniaAve., NW, Washington, D.C. 20460. Include the OMB control number in any correspondence. Do notsend the completed EPA Form 7710-25 tothis address. 

### CERTIFICATION ··Aprinted copy ofthis signature page, with original signature, must be submitted with CD orpapersubmission. I certify that to the best ofmy knowledge and belief: 1. The company named in Part I, section A, subsection 1 a ofthis notice form intendsto

manufacture, import orprocess fora commercial purpose, otherthan in small quantities solely for research and development, the substance identified in Part I, Section B. 2. All information provided in this notice is complete and truthful as ofthe date ofsubmission. 3. I am submitting with this notice all test data in my possession orcontrol and a description ofall

otherdata known to or reasonably ascertainable by me as required by §720.50 ofthe Premanufacture Notification Rule. Additional Certification Statements: Ifyou are submitting a PMN, Intermediate PMN, Consolidated PMN, orSNUN, checkthe following userfee certification statementthat applies: 

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

# D D The Company named in Part I, Section A has remitted the fee of$1000 for an Intermediate PMN (defined@ 40 CFR 700.43) in accordancewith 40CFR 700.45(b), or The Company named in Part I Section A is a small business concern under40 CFR 700.43 and has remitted afee of$100 in accordance with 40 CFR 700.45(b). Ifyou are submitting a LowVolume Exemption (LVE) application in accordance with 40 CFR 723.50(c)(1) ora Low Release and Low Exposure Exemption (LoRex) application in accordancewith 40 CFR 723.50(c)(2), check thefollowing certification statements: 

# D The manufacturer submitting this notice intends to manufacture or importthe newchemical substance for commercial purposes, otherthan in small quantities solelyfor research and development, undertheterms of40 CFR 723.50. 

# D The manufacturer is familiarwith the terms ofthis section and will comply with those terms; and 

# D The newchemical substance forwhichthe notice is submitted meets all applicable exemption conditions. 

# D Ifthis application is for an LVE in accordance with 40 CFR 723.50(c)(1), the manufacturer intends to commence manufacture of the exempted substancefor commercial purposes within 1yearofthe date ofthe expiration ofthe 30 day review period. The accuracy ofthe statements you make in this notice should reflect your best prediction ofthe anticipated facts regarding the chemical substance described herein. Any knowing and willful misrepresentation is subjectto criminal penalty pursuantto 18 USC 1001. Signature and title of Authorized Official (Original Signature Required) Date Confidential

EPA FORM 7710-25 (Rev. 6-09) Replaces previous editions of EPA Form 7710-25 Page 3

### ( 1111111111111111111111 

## 3 11111111 SANITIZED SUBMISSION 

### PMN P PMN2011P3 

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**i\~** Ifyou are submitting this notice as part ofajointsubmission, mark (X) 

# I [ J Name ofAuthorized Official (first) (last) Position Company 

# D Mailing Address (number& street) City [State 

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# IX] Mailing Address (number& street) XXX City XXX 

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## :i~~~~l I'UIIC XXX 'e area code} Ifyou have had a prenotice communication (PC) concerning 

### Mark(X) ifnone<··· "'""'u"''"'-'' 

### 3. this notice and EPAassigned a PC Numberto the notice, 

# [XI 

# D enterthe number. Ifyou.""' v '"":"s.!)' submitted an exemption application forthe 

### Mark (X) ifnone·

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## ........................ chemical substance covered bythis notice, enterthe 

### 4. exemption number assigned by EPA. Ifyou previously 

# [XI 

# D submitted a PMN forthis substance enterthe PMN number ,.,.,;nnon by EPA (i.e. withdrawn or Ifyou have submitted a notice of Bona fide intentto 

### Mark (X) ifnon& '!.,;'""'""'""'"'.•'· 

### 5. manufacture or import for the chemical substance covered 

# [XI 

# D by this notice, enterthe notice number assigned by EPA. 

### 6. TypeofNotice
- Mark(X) Manufacture Only 

# D Import Only 

## [X] 

# D 1. 2; 

### 3. Both Binding Option 

# D Binding Option 

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

• '''"T

**··~·**SANITIZED SUBMISSION

Class 1 or2 chemical substances (for definitions ofclass 1 and class 2 substances, see the Instructions Manual)
a. Class ofsubstance
- Mark Class 1 

# D Class 2 

# D b. Chemical name (Currently correct Chemical Abstracts (CA) Name that is consistentwith TSCA Inventory listingsforsimilar substances. For Class 1 substances a CA Index Name must be provided. ForClass 2 substances eithera CA Index Name orCA Preferred which ever based on current CA index nomenclature 

## XXX

EnterAttachmentfilename for Part I, Section B, 1. e. CBI

EPA FORM 7710-25 (Rev. 6-09) Replaces previous editions of EPA Form 7710-25 Page 5t' 

## llllllllllllllllllllllllllllllllllllllllllllllllllllllllllll SANITIZED SUBMISSION PMN2011P4A 

### PMN Page 4a Fora class 2 substance- (1) List the immediate precursor substances withtheir respective CAS Registry Numbers. (2) Describe the nature ofthe reaction or process. (3) Indicatethe range ofcomposition and the typical composition (where appropriate). Confidential

e. (1) List the immediate precursorsubstance names with their respective CAS Registry Numbers. 

# [XI XXX

EnterAttachmentfilename for Part I, Section B, 1. e. (1) 

# I
e. (2) Describe the nature ofthe reaction orprocess. XXX

EnterAttachmentfilename for Part I, Section B, 1. e. (2) 

# I

e. (3) Indicatethe range ofcomposition and the typical composition (where appropriate). XXX

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

# I

EPA FORM 7710-25 (Rev. 6-09) Page6 

# l 

# J

l J



# D

Replaces previous editions of EPA Form 7710-25t 111111111111111111 11111111111 PMN2011P5



### Other (Specify Below) 

# 0

(i) lowest numberaverage molecular weight: (ii) maximum weight % below500 molecular weight:

monomeror (X) the "Confidential" box nextto any item you claim as confidential SANITIZED SUBMISSION

(iii) maximum weight % below 1 000 molecular weight:

(1)
- Providethe specific chemical name and CAS Registry Number(ifanumberexists) ofeach monomer or other reactant used inthe manufacture ofthe polymer. (2)
- Mark (X) this column ifentry in column (1) is confidential. (3)
- Indicatethe typical weight percent ofeach monomer orother reactant in the polymer. (4)
- Choose "yes" from drop down menu ifyou want a monomerorother reactant used attwo weight percent or less to be listed as part of the polymerdescription on the TSCA Chemical Substance Inventory. (5)
- Mark (X) this column ifentries in columns (3) and (4) are confidential. (6)
- Indicatethe maximum weight percent ofeach monomerorother reactant that may be present as a residual in the polymeras manufactured forcommercial

- Mark this Monomeror other reactant specific chemical name (1)

EPA FORM 7710-25 (Rev. 6-09) Page 7 Replaces previous editions of EPA Form 7710-25e. IIII

Method 1 (CAS Inventory Expert Service

- a copy ofthe identification report obtained from CAS Inventory Expert Service must be this 

# D

EnterAttachmentfilename for Part I, Section B, 2. e.
EPA FORM 7710-25 (Rev. 6-09) IES Order Number

Page 8 SANITIZED SUBMISSION this notice Method 2 (othersource) 

# D

D
Replaces previous editions ofEPA Form 7710-2511111111111 SANITIZED SUBMISSION PMN2U1· 

### PMN Page 

### 6 ( 

### Part I -- GENERAL INFORMAT!()N_-- Continued Section B-CHEMICAL IDENTITY INFORMATION - Continued 3. Impurities (a)
- Identify each impurity that may be reasonably anticipated to be present in the chemical substance as manufactured for commercial (b)
- purpose. Providethe CAS Registry Numberifavailable. Ifthere are unidentified impurities, enter"unidentified." Estimate the maximumweighf% ofeach imQllritv. Ifthere are unidentified impurities, estimate theirtotalweight %. CAS

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

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

# D
EnterAttachmentfilename for Part I, Section B, 3. 

# I D 4. Synonyms
- Enterany chemical synonyms forthe newchemical identified in subsection 1 or2. n/a 

# D

Enter

**~""'v'**.. "V"' I, ,8,4. 

# I 

# [ J 5. Trade identification
- Listtrade names forthe newchemical substance identified in subsection 1 or2. 

### XXX 

## [X]

"""""""'"'".filenamefor Part I, Section B, 5. 

# I [ 

# ] 6. Generic chemical name - Ifyou claim chemical identify as confidential, you must provide a generic name foryour substancethat reveals the specific chemical identity ofthe newchemical substance to the maximum extent possible. Referto the TSCAChemical Substance Inventory, 1985 Edition, Appendix B for guidance on developing generic names. Acetaldehyde, substituted-, reaction products with 2-butyne-1,4-diol

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

## I !

**'""~~7~** 7. Byproducts
- Describe any byproducts resulting from the manufacture, processing, use, ordisposal ofthe newchemical substance. Providethe CAS Registry Number ifavailable. Byproduct (1)

**CASRegi~ryNumber-** Conti- (2) dential

Mark (X) this 'thedata continues on the next page. 

# l J '····

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### .l·~

EPA FORM 7710-25 (Rev. 6-09) Replaces previous editions of EPA Form 7710-25 Page 9

**r~-** •, " I1111111111111111111111111111111111111111111111111111111 SANITIZED SUBMISSION PMN2011P7 

### PMN Page

## 7 Part I-- GENERAL INFORMATION-- Continued Section C
- PRODUCTION, IMPORT, AND USE INFORMATION: The Information onthis page refersto consolidated chemical number(s): 

# 01 [ J 2 

## []3 

# [ J 4 

## [ 5 

## ]6 Mark (X) the "Confidential" box nextto any item you claim as confidential. 1. Productionvolume- Estimate the maximum production volume during the first 12 months ofproduction. Also estimate the maximum production volumefor any consecutive 12-month period duringthefirst threeyears ofproduction. Estimates should be on 100% newchemical substance basis. For a LowVolume Exemption application, ifyou choose to haveyour notice reviewed at a lowerproduction volume than 10,000 kg/yr. specifythe volume and mark (x) in the binding box. Ifgranted, you are bound to this volume. Maximumfirst 12-month production (kg/yr) Maximum 12-month production (kg/yr) Confidential Binding Option

(100% newchemical substance basis) (100% newchemical substance basis) Mark (X) 

### XXX XXX 

## [X] 

# D
EnterAttachmentfilename for Part I, Section C, 1. 

# I CBI 

# l 

# J 2. Use Information- You must make separate confidentiality claims forthe description ofthe category ofuse, the percent ofproduction volumedevoted to each category, the formulation ofthe newsubstance, and other use information. Mark (X) the "Confidential" Box nextto any itemyou claim as confidential. a. (1) -Describe each intended category ofuse ofthe newchemical substance byfunction and application. (2) -Mark (X) this column ifentrycolumn (1) is confidential business information (CBI). (3) -Indicateyourwillingnessto havethe information provided in column (1) binding. (4) -Estimatethe percent oftotal production forthe first threeyears devoted to each category ofuse. (5) -Mark (X) this column ifentry in column (4) is confidential business information (CBI). (6) -Estimatethe percent ofthe newsubstance as formulated in mixtures, suspensions, emulsions, solutions, orgels as manufacturedfor commercial purposes at sites underyourcontrol associatedwith each category ofuse. (7) -Mark (X) this column ifentry in column (6) is confidential business information (CBI). (8) -Indicate % ofproductvolume expected forthe listed "use" sectors. Mark morethan one box ifappropriate. Mark (X) to indicateyour willingness to havethe usetype provided in (8) binding. (9) --Mark (X) this column ifentry(ies) in column (8) is (are) confidential business information (CBI). Categoryofuse (1) Binding Prod %in % ofsubstance expected per use (byfunction and application i.e. a dispersive dyefor CBI Option uction CBI Form- CBI (8) CBI finishing polyesterfibers) Mark (X) % ulation**s~**.. Con- Industrial Corn- Binding (2) (3) (4) (5) (6) (7) limited sumer• mercial Option (9) brightenerfor nickel electroplating XXX 

### X XXX 

### X XXX XXX XXX XXX 

### X

• Ifyou have identified a "consumer'' use, please provide on a continuation sheet a detailed description ofthe use(s) ofthis chemical substance in consumer products. In addition include estimates ofthe concentration ofthe newchemical substance as expected in consumer products and describe the chemical reactions bywhich this substance loses its identity in the consumer product. Mark (X) this box ifthe data continues on the next page. 

# D b. Generic use Ifyou claim any category ofuse description in subsection 2a as confidential, entera genericdescription ofthat category. description Read the Instruction Manual for examples ofgeneric use descriptions.

EnterAttachment filename for Part I, Section C, 2. b. 

# I CBI 

# D 3. Hazard Information
- Include in the notice a copy ofreasonable facsimile ofany hazard warning statement, label, material safety

data sheet, or other information which will be provided to any person who is reasonably likely to be exposed tothis substance Binding Option regarding protective equipment or practices for the safe handing, transport, use, ordisposal ofthe newsubstance. List in part Ill Mark (X) hazard information you include. Mark (X) this box ifyou attach hazard information. 

## [R] 

# D EPA FORM 7710-25 (Rev. 6-09) Replaces previous editions of EPA Form 7710-25 Page 10



### r

## lllllllllllllllllllllllllllllllllllllllllllllllllllllll

Name Site address (numberand street) City State

c. Amount and Duration
- Complete 1or2 as appropriate

1. Batch

2. Continuous

d. Process description

(1) the operation steps chemical pails, 55 gallon drum, rail car, tanktruck, etc.). County ZIP code

Hours/batch

Hours/day SANITIZED SUBMISSION

Batches/year

Days/year Confidential



# D


# D D
D D

(2) Provide the identity, the approximate weight (by kg/day orkg/batch on a 100% newchemical substance basis), and entry point ofall starting materials and feedstocks (including reactants, solvents, catalysts, etc.), and ofall products, recycle streams, and wastes. Include cleaning chemicals (notefrequency ifnot used dailyor per batch.). (3) Identify by numberthe points ofrelease, including small or intermittent releases, to the environment ofthe newchemical substance. If to two media atthe same a second release numberforthe second

EPA FORM 7710-25 (Rev. 6-09) Replaces previous editions ofEPA Form 7710-25 Page 11

I I

**-··~~--,--~~**11111111111111111111111111111111111111111111 SANITIZED SUBMISSION PMN2011P8A 

### PMN P 8 age a ( Confidential Diagram ofthe major unitoperation steps. 

# D

EnterAttachment filename for Part II, Section A, 1. d. 

# I [ J

EPA FORM 7710-25 (Rev. 6-09) Replaces previous editions of EPA Form 7710-25 Page 12

.. =•••""r•--r=oo=r**~** I11111111111111111111111111111111 11111111111 SANITIZED SUBMISSION PMN2011P9 

### PMN Page 9 PartJI;;.. HUMAN EXPOSUREAND**ENVIRONMENTAL-RELEASE;~**

### Continued : SectionA--INDUSTRIAl!.SITES CONTROLLED BYTHE SUBMITTER:;;;.;.Continued'· The information on pages 9 and 9a refertoconsolidated chemical number(s): [ 

### 1 

# 0 2 [ ] 3 [ ] 4 [ 5 [ ] 6 2. Occupational Exposure- You must make separate confidentiality claims forthe description ofworker activity, physical form ofthe newchemical

substance, numberofworkers exposed, and duration of activity. Mark (X) the "Confidential" box nextto any item you claim as confidential.

(1)
- Describe the activities (i.e. bag dumping, tote filling, unloading drums, sampling, cleaning, etc.) in which workers may be exposed to the substance. (2)
- Mark (X) this column ifentry in column (1) is confidential business information (CBI). (3)
- Describe any protective equipment and engineering controls used to protectworkers. (4) and (6)- Indicate yourwillingness to have the information provided in column (3) or (5) binding. (5)
- Indicatethe physical form(s) ofthe newchemical substance (e.g., solid: crystal, granule, powder, or dust) and % newchemical substance (if part ofa mixture) atthe time ofexposure. (7)
- Mark (X) this column ifentries in columns (3) and (5) are confidential business information (CBI). (8)
- Estimate the maximum numberofworkers involved in each activityfor all sites combined. (9)
- Mark (X) this column ifentry in column (8) is confidential business information (CBI). ( 1

0) and (11)
- Estimatethe maximum duration ofthe activityfor anyworker in hours perday and days peryear. {12)
- Mark (X) this column ifentries in columns (10) and(11)areconfidential business information (CBI).

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

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

## J EnterAttachment filename for Part II, Section Aon the bottom ofpage 9a. 

# D

EPA FORM 7710-25 (Rev. 6-09) Replaces previous editions of EPA Form 7710-25 Page 13

# (

' \'-_ SANITIZED SUBMISSION -You must amount ofthe newchemical substance released and other release and disposal information. (X) the box nextto each item you claim as confidential. (1)
-- Enterthe numberofeach release point identified in the process description, part II, section A, subsection 1d(3). (2)
- Estimate the amount ofthe newsubstance 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 (CBI). (4)
- Identifythe media (stack air, fugitive air (optional-see Instruction Manual), surfacewater, on-site or off-site land or incineration, POTW, or other (specify)) to which the newsubstance will be released from that release point. (5)
- a. Describe controltechnology, ifany, and control efficiency thatwill be used to limitthe release ofthe newsubstanceto the environment. For releases disposed ofon land, characterize the disposal method and statewhether it is approved for disposal of RCRA hazardous waste. On a continuation sheet, for each site describe any additional disposal methods thatwill be used and whetherthewaste is subjectto secondary ortertiary on-site treatment. b. Estimatethe amount released to the environment aftercontrol technology (in kg/day). (6)
- Mark (X) this column ifentries in columns (4) and (5) are confidential business information (CBI). (7)
- Identifythe destination(s) ofreleases to water. Please supply NPDES (National Pollutant Discharge Elimination System) numbers fordirect discharges or NPDES numbers ofthe POTW (Publicly Owned TreatmentWorks). Mark (X) ifthe POTWname or NPDES #isconfidential



# D D business information

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

POTW-provide name(s) Navigablewaterway-

- provide name(s) 

# D Other-Specify
EnterAttachmentfilename for Part II, SectionA.
EPA FORM 7710-25 (Rev. 6-09) 

# D D D D Replaces previous editions of EPA Form 7710-25 Page 14111111111111111111111111111111111111111111111111111111111111 SANITIZED SUBMISSION

confidential. (1)
- Diagram the majorunit operation steps and chemical conversions, including interim storage and transport containers (specify- e.g. 5gallon pails, 55 gallon drums, rail cars, tanktrucks, etc). On the diagram, identify by letterand brieflydescribe each worker activity. (2)
- Either in the diagram or inthe text field 1(b) below, provide the identity, the approximate weight (by kg/day or kg/batch, on an 100% new chemical substance basis), and entry point 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)
- Either in the diagram or inthe text field 1 (b) below, identify by numberthe points ofrelease, including small or intermittent releases, to the environment ofthe newchemical substance. Confidential 

## [g)

1(b). (Optional) This space is for atext description to clarifythe diagram above. Confidential

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

EPA FORM 7710-25 (Rev. 6-09) Replaces previous editions of EPA Form 7710-25 Page 15

# ~ 1111111111111111111111111111111111111111111111111111111111111111111111 SANITIZED SUBMISSION PMN2011 P10-1 

## Continuation Sheet
ID

# IP10SB1(a)(4)1 

# I Field

# I Part II, Section 8, 1(a)(4). Operation Site Locations 

### XXX

EPA FORM 7710-25 (Rev. 6-09) Replaces previous editions ofEPA Form 7710-25 Page 1611111111111111111111111111111111111111111111111111111111111111111 SANITIZED SUBMISSION PMN2011P1OA 

### PMNP 10a 2. Worker Exposure/Environmental Release (1)
- From the diagram above, provide the letterfor each worker activity. Complete 2-8 for each worker activitydescribed. (2)
- Estimatethe number ofworkers exposed for all sites combined. (4)
- Estimate the typical duration ofexposure perworker in (a) hours perday and (b) days peryear. (6)
- Describe physical form ofexposure and %newchemical substance (if in mixture), and any protective equipment and engineering controls, if any, used to protectworkers. (7)
- Estimate the percent ofthe newsubstance as formulated when packaged or used as afinal product. (9)
- From the process diagram above, enterthe numberofeach release point. Complete 9-13 for each release point identified. (10)- Estimate the amount ofthe newsubstance released (a) directlyto the environment or (b) into control technologyto the environment (in kg/day or kg/batch). (12)
- Describe media ofrelease i.e. stack air, fugitive air (optional-see Instructions Manual), surface water, on-site oroff-site land or incineration, P01W, orother (specify) and control technology, ifany, that will be used to limitthe release ofthe newsubstance to the environment. (14)- Identify byproducts which may result from the operation. (3), (5), (8), (11), (13) and (15)- Mark (X) this column ifanyofthe proceeding entries are confidential business information (CBI).



### XXX XXX 

### X XXX XXX 

### X XXX XXX XXX 

### X XXX XXX X XXX 

### XXX X XXX 

### XXX XXX X



### XXX XXX XXX X 

### XXX X


### XXX XXX XXX X 

### XXX X

EPA FORM 7710-25 (Rev. 6-09) Replaces previous editions of EPA Form 7710-25 Page 17SANITIZED SUBMISSION PMN2011P11 

### PMN 

## Page 11 

## OPTIONALPOLLUTIONPREVENTIONINFORMATION To claim information in the following section as confidential, bracket (e.g.{})the specific informationthat you claim as confidential. In this section you mayprovide information not reported elsewhere in this form regarding yourefforts to reduce or minimize potential risks associated with activities surrounding manufacturing, processing, use and disposal ofthe PMN substance. Please include newinformation pertinentto pollution prevention, including source reduction, recycling activities and saferprocesses or products available dueto the newchemical substance. Source reduction includes the reduction in the amount ortoxicity ofchemicalwastes bytechnological modification, process and procedure modification, product reformulation, and/or raw materials substitution. Recycling refers tothe reclamation ofuseful chemical components from wastes thatwould otherwise be treated orreleased as airemissions orwaterdischarges, orland disposal. Quantitative orqualitative descriptions ofpollution prevention, source reduction and recycling should emphasize potential risk reduction in addition to compliancewith existing regulatory requirements. The EPA is interested in the information to assess overall net reductions in toxicity orenvironmental releases and exposures, notthe shifting ofrisks to other media (e.g., airto water) or nonenvironmental areas (e.g., occupational or consumer exposure). To the extent known, information aboutthetechnology being replaced will assist EPA in its relative risk determination. In addition, information on the relative cost or performance characteristics ofthe PMN substanceto potential alternatives may be provided. Describe the expected net benefits, such as

(1) an overall reduction in risk to human health orthe environment; (2) a reduction in the generation ofwaste materials through recycling, source reduction orothermeans; (3) a reduction in the useofhazardous starting materials, reagents, orfeedstocks; (4) a reduction in potential toxicity, human exposure and/orenvironmental release; or (5) the extenttowhich the newchemical substance may be a substitutefor an existing substance that poses a greater overall riskto human health orthe environment. Information provided Inthissectionwill betaken Intoconsideration duringthe reviewofthissubstance. See PMN Instructions Manual and Pollution Prevention Guidance manualforguidanceand examples. This PMN substance is used in formulating a brightenerfor semibright nickel plating process. The PMN substance will replace chloralhydrate. Its function is to brighten the deposit and stabilize the electropotential ofthe deposit.

EnterAttachmentfilename for Pollution Prevention Page 11. 

# I 

# D

EPA FORM 7710-25 (Rev. 6-09) Replaces previous editions ofEPA Form 7710-25 Page 18111111111111111111111111111 11111111111111111111111 SANITIZED SUBMISSION PMN201 p 1 12 

### PMNPage 12 Part Ill -- LIST OFATTACHMENTS Attach continuation sheets for sections ofthe form, testdata and otherdata (including physical/chemical properties and structure/activity information), and optional information afterthis page. Clearly identifythe attachment and the section ofthe form to which it relates, ifappropriate. Number consecutively the pages ofany paper attachments. In the Numberof Pages column below, enterthe inclusive page numbers ofeach attachment for papersubmissions orenterthe total numberofpages foreach attachment for electronicsubmissions. Electronic attachments can be identified by filename. Mark (X) the "Confidential" box nextto any attachment name orfilename you claim as confidential. Read the Instructions Manual for guidance on howto claim any information in an attachmentas confidential. You must include with the sanitized copy ofthe notice.form a sanitized version ofany attachment in which you claim information as confidential. Number Associated # Attachment Name Attachment Filename of Pages PMN Section CBI Number 001 CASinventory ExpertServices 2 Pt.l, Sec.B, 1c. 

### IPt.l, Sec.B, 1e. 002 Part II
- Section 8(1) Continuation Sheet 2 Pt.2, Sec.B, 1a.l Pt.2, Sec.B, End 003 MSDS 5 004 Assessment ofToxicity and Chemical 17 Characteristics 005 Assessment ofToxicity and Chemical 18 Characteristics 006 AssessmentofToxicity and Chemical 18 Characteristics

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

# D EPA FORM 7710-25 (Rev. 6-09) Replaces previous editions of EPA Form 7710-25 Page 19

### (

I \ SANITIZED SUBMISSION



### 6 To assist EPA's review ofphysical and chemical propertiesdata, please complete the following worksheetfordata you provide and include it in the notice. Identifythe property measured, thevalueofthe property, the units in which the property is measured (as necessary), and whetheror notthe property isclaimed asconfidential. Givethe attachment number (found on page 12) in column (b). The physical state ofthe neatsubstance should be provided. These measured properties should beforthe neat(100% pure) chemical substance. Propertiesthat are measured for mixturesor formulations should be so noted (% PMN substance in_). You are not requiredto submitthisworksheet; however, EPA strongly recommends that you do so, as itwill simplifythe review and ensurethat confidential information is properly protected. You should submitthisworksheet as a supplementtoyoursubmission oftestdata. This worksheet is nota substituteforsubmission oftest data.


# D XXX 

### X 

# D Torr 

# D XXX g/cm3 

# D g/L 

# D g/L 

# D ·c 

# D •c 

# D D D D D D D Flammability 

# D Explodability· 

# D Adsorption I Coefficient' 

# D
Particle Size Distribution 

# D

Other- Specify· 

# D

Page 20

### ATTACHMENT HEADER SHEET

Attachment Number001
Attachment Name CASinventory Expert Services 

### Associated PMN Section Number Pt.l, Sec.B, 1c.j Pt.l, Sec.B, 1e.
Does not contain CBI



### Report Number PROC110207243555108

### ( 

# InventoryExpertService

Adivision oftheAmerican Chemical Society Phone:800-631-1884,614-447-3870 

### Fax:614-447-3747 E-mail:answers@cas.org Web:www.cas.org/products/clientl



### INVENTORY EXPERT SERVICE REPORT

IES-ORDER NUMBER:

# c

REGISTRY NUMBER: [

CA INDEX NAME 

# lJ 

# [ 

# J

CAS 

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

# 0 If this box is checked, CAS has made correction(s) marked 

### in red to your IES order. Please make the same correction(&) to your PMN before submitting it to the EPA.

2540 Olentangy River Road P.O. Box 3343 Columbus. Ohio 43210-0334 USA -r "1'1TT• -;

**--~--~** 

### -r--' \



# -

., -=f"-

1 I'

### ATTACHMENT HEADER SHEET

Attachment Number002 Attachment Name Part II- Section 8(1) Continuation Sheet 

### Associated PMN Section Number Pt.2, Sec.B, 1a. 

## IPt.2, Sec.B, End
Does not contain CBI



### Report Number PROC110207243555108.I ''\ --1 ;/ • 1 1

l I **-~** J 1 l **~** ,.-----.._

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

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## ,.d 

# 00

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# 0 

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### ATTACHMENT HEADER SHEET

Attachment Number003
Attachment Name MSDS


### Associated PMN Section Number N/A

Does not contain CBI



### Report Number PROC110207243555108

# Safety data sheet Page I of5 

## Product:( 

# J Version 02


### 1. Substance/preparationand company name 

# [:

. J (additive forthe electroplating industry in nickel electrolytes) For industrial use only. 

# cCompany: Bergische Elektrochemie GmbH Millrather Strasse 36 42781 Haan Federal Republic ofGermany Tel.: +49 2104 60101 Fax.: +49 2104 60572 

# J Daterevised: 12.01.2011

EMERGENCY HOTLINE EUROPE: POISON INFORMATION CENTER MAINZ: +49·6131·19240 CHEMTREC EMERGENCY PHONE NUMBER, USA : 202-483-7616 0800-424-9300



### 2. Possible hazards** Toxic by inhalation and ifswallowed. Harmful byinhalation, in contactwith skin and 

### ifswallowed. Harmful: dangerofserious damageto health by prolonged exposure ifswallowed. May cause sensitisation by skin contact.



### 3. Composition/Informationon ingredients**
Hazardous Ingredients Trade Secret 60-80% 110-65-6 1,4-BUTYNEDIOL 20-30%



### 4. Firstaid measures General advice: Remove contaminated clothing. Note precautions for self-protection offirst-aider. Ifinhaled: Ifdifficulties occur aftervapour/aerosol has been inhaled: fresh air, summon physician. On skin contact: Washwith soap and cold water. Consult a physician ifskin irritation persists. On contactwith eyes: Checkfor contact lenses and remove. Wash affected eyes forat least 15 minutes under running water with eyelids held open. Seek Medical advise. On ingestion: Rinse mouth immediately and then drink plenty ofwater, do not inducevomiting, summon medical aid. Noteto physician:



### ·-r I

**,jim~-~~-**' \ 

# Safety data sheet Page2of5 

## Product[ ] Version02 Treataccording to symptoms (decontamination, vital functions), no known specificantidote.

5. Firefighting measures Suitable extinguishing media: Water, dry extinguishing media, foam, carbon dioxide (C02) Extinguishing media that must not be used: Forsafety reasons do not usefull waterjet. Specific Hazards: Formation ofhazardousfumes. Hazardous combustion products: (CO, C02). Special protective equipment: Daterevised: 12.01.20II

Firefighters should be equipped with self-contained breathing apparatusto preventcontactwith reaction products. Further information: Contaminated extinguishing water must be disposed ofin accordancewith local regulations.

6. Accidental release measures Personal precautions: Avoid contactwith skin, eyes and clothing. Change soaked clothing immediately. Environmental precautions: Do notdischarge product into surfacewater, drains and ground waterwithout pre-treatment (biologicaltreatment plant) Methodsfor cleaning up: Contain with adsorbent material and dispose.

7. Handlingand storage Handling: Use good industrial practiceswhen handling. Avoid skin, eye and clothing contact. Do not inhale. Do nottaste or swallow. Ensurethorough ventilation ofstores and work areas. Avoid formation of aerosols. Protection againstfire and explosion: Sources of ignition should be kept clear. Storage: Keep tightly sealed. Store cool. Protect againsttemperatures below

### -10

# ac and ofabove 

### 40

# a c. Do not store togetherwith strong acids strong alkaline orwith strong oxidizing agents.

# Safety data sheet Page 3 of

### 5 

## Product( 

# l Version 02 Daterevised: 12.01.2011


# ----·---------·-------------------------------- 8. Exposurecontrols and personal protection Exposure Guidelines: There are no OSHAorACGIH exposure guidelines availableforcomponent(s) in this product 

### Personal protective equipment: Respiratory protection Breathing apparatus in the eventofhigh concentrations. Use NIOSH approved respirator as needed to mitigate exposure. Hand protection: For splash contact Material: Butyl rubber Forcontinuous exposure. Material: Butyl rubber 0.7 mmthickness
0,7 mm thickness Breakthrough time: >240 min Breakthroughtime: >480 Min Breakthrough time ofGlove material: The stated breakthroughtime hasto be inquiredfrom the Glove manufacturer/supplierand hasto befollowed strictly. Protective gloves needto be replaced immediatelyafterfirst signs ofwearandtearare noticed. Eye protection: Side-shield safety glasses. General safety and hygiene measures: The usual precautionsforthe handlingwith chemicals must be observed. Wash hands before breaks and afterwork. Separate storage ofwork clothes. Wash contaminated clothing priorto re-use.



### 9. Physical and chemical properties Form: liquid Colour: brownto reddish Odour: product specific Change in physical state Boiling point/boiling range: Solidification temperature: Flash point: Combustibility: Ignition temperature: Explosion hazard: Vapour pressure: Density: Solubility in water: PH value: approx. approx. approx. notflammable NA 185'C -20'C N.A.

no explosion hazard

<100 mbar (20'C) 1.42-1.48 g cm3 (23'C) miscible 4 to 7 (undiluted) (DIN 51758)

(DIN 51794)

(DIN 51757)

(DIN 19268)



# - ' '( \

/ \_ 

# Safety data sheet Page4of5 

## Product:[ '"

# ·"l
vern;on02 Date revised: 12.01.2011 Viscosity N.A. (20 'C) (DIN 53211)

10. Stabilityand reactivity: Substances to avoid: Strong bases, acids, heavy metal salts, e.g. Hg, powerful oxidising agents. Hazardous reaction products: During incineration: formation ofhydrochloric acid fumes and CO and C02 gas Hazardous decomposition products: None provided product is correctly processed. Carbon monoxide, Carbon dioxide, Hydrochloricacid fumes

11. Toxicological information** Acutetoxicity LD50 value that is relevantfor classification: 110-65-6 Butynediol (as 1 00%) LD50/oral/rat 1 OOmglkg LC50/inhalation/rat 0,69 mg/1 4h LD50/dermaVrat 659 mg/kg Lit. OECD403 OECD402

Acute inhalation hazard (rat; test results depending on toxicity and volatility): No data avialable. Primary skin irritation/rabbit/OECD 404: Primary mucous membrane irritation/rabbits' eyes/OECD 405 :

12. Ecological information Elimination information: Test method: OECD 3028/ ISO 9888/ EEC 88/302, C Method ofanalysis: DOC reduction Degree ofelimination: 30-40% Evaluation: moderateto eliminate Behaviourand environmental fate slightly irritant irritant

Inhibition ofdegradation activity in activated sludge is notto be anticipated during correct introduction oflowconcentrations. Ecotoxic effects Toxicity to bacteria: EC10 (17 Hrs.): No data available Toxicity to fish: LC50 (96Hrs.): No data available Furtherecological information No data available

13. Disposal considerations

# Safety data sheet Page 

### 5of5 

## Product:[ 

# 'J Version 02


### Product: Must be disposed ofby special means, e.g. suitable incineration, in accordancewith local regulations. Contaminated packaging: Uncontaminated packs can be reused. Daterevised: 12.01.20II



### Packthat cannot be cleaned should be disposed ofin the same mannerasthe contents.

14. Transport Information** Land transport DOT Class: 6.1 Subrisk: none UN-No.: 2810 PG: Ill Propertechnical name: TOXIC LIQUID, ORGANIC, N.O.S. (contains: BUTYNEDIOL)
Sea transport IMDG/GGVSee Class: 6.1 Subrisk: none UN-No.: 2810 PG: Ill EMS: F-A,S-A Marine pollutant: No Propertechnical name: TOXIC LIQUID, ORGANIC, N.O.S. (contains: BUTYNEDIOL)
Airtransport ICAO/IATA Class: 6.1 Subrisk: none UN-No.: 2810 PG: Ill Propertechnical name: TOXIC LIQUID, ORGANIC, N.O.S. (contains: BUTYNEDIOL)
Other information None

15. Regulatory information** TSCA 8(b) Inventory Status: Not all components comprising this product are listed on TSCA.
16. Otherinformation**
The information contained herein is based on the present state ofour knowledge and does not therefore guarantee certain properties. Recipients ofour product musttake responsibility for observing existing laws and regulations. 

# ==========================================================================================

"T I ill

### \ 

### ATTACHMENT HEADER SHEET

Attachment Number004
Attachment Name AssessmentofToxicity and Chemical Characteristics 

### Associated PMN Section Number N/A

Does notcontain CBI



### Report Number PROC110207243555108

### ( IntertekExpert Services ToxicologyandEnvironmental Assessments Group



### Summary The TOXTREE model1 

### indicatesthe material has nostructural alertsfor mutagenicityand is unlikelyto be agenotoxicornon-genotoxiccarcinogen. The detailed outputofthe model is provided inTable 1. Based on chemical analogs (National Libraryof Medicine)this compound is considered moderatelyto slightlytoxic in acute exposures. The environmental chemistry and ecotoxicity ofthecompound was estimated withthe EPA EPIWIN model and the outputofthe model is provided in Table 2. The compound is predicted to have moderate watersolubility (478 mg/l).The material has a calculated octanol-water partition coefficient (Log Kow) of 1.08 and consequently it has a low potential to bioaccumulate (calculated BCF =0.381). The ECOSAR submodel predicted the material will have lowtoxicityto aquaticorganisms. The compound is predicted to biodegrade slowly. Primary biodegradation is estimated to require weeks or months. Based on model result[ considered a PBT2 

### subJ.ance.

1 R. Benigni, R., C. Bossa, N. Jeliazkova, T. Netzeva and A. Worth. The Benigni

### I Bossa rulebase for mutagenicityand carcinogenicity- a module ofToxtree. 2008. 68 pp. EUR- Scientific and Technical Research series- ISSN 1018-5593. 2 PBT= Persistence BioaccumulativeToxic( \ [ntertekExpert Services Toxicologyand EnvironmentalAssessmentsGroup



### • Physical

## I Chemical Properties Melting Point : Boiling Point : WaterSolubility: Log 

### Kow: 380.50 153.47 478.1 1.08 

### SAR Modeling3



### • Biodegradation: Linearand non-linearmodels predictslow biodegradation. MITIIinearand non-linearmodels also predictslow biodegradation.The results ofall the models are consistent and favorslow biodegradation.

• AquaticToxicity: LCso (96-hrfish) 

# = LCso (48-hrdaphnid)

### = ECso (96-hrgreen algae)

# = 1752.98 mg/ L 

# * 905.36 mg/

### l 

## * 267.88 mg/ L Neutral Organics Model Neutral Organics Model Neutral Organics Model 

## *
-asterickdesignates, chemical may notbe solubleenough to measurethis predicted effect.

• Bioconcentration (BCF): log BCF = 0.381 (lowpotential to bioaccumulate)

3 EPA EPIWIN Model, Syracuse Research Corporation 

# )

I )fntertek Expert Services Toxicologyand EnvironmentalAssessments Group 

### \ Table 1. TOXTREEModel Output

# fo( ] QSAl.Acylhalides No QSA2.Alkyj_(C<5)orbenzyl esterofsulphonicorphosphonicacid No QSA3.N-methylolderivatives No QSA4.Monohaloalkene No QSA5.S orN mustard No QSA6.Propiolactonesandpropiosultones No QSA 7.Epoxidesandaziridines No QSA8.Aliphatichalogens No QSA9.Alkylnitrite No QSAll.Sifili'lealdehyde No _QSA12.Quinones No QSA13.Hydrazine No QSA14.Aliphaticazo andazoxy No QSA15.1socyanate andisothiocyanategrou{)s No QSA16.Alkylcarbamate and thiocarbamate No QSA18.PolycyclicAromaticHydrocarbons No QSA19.Heterocyclic PolycyclicAromaticHydrocarbons No QSA21.AlkylandarylN-nitrosogroups No QSA22.Azideandtriazene groups No QSA23.AliphaticN-nitro No QSA24.a.,6 unsaturatedalkoxy No QSA25.Aromaticnitrosogroup No QSA26.AromaticringN-oxide No 

# ) QSA27.Nitroaromatic No QSA28.Primaryaromatic amine, hydroxyl amineandits derived esters (withrestrictions) No QSA28bis.Aromaticmono- anddialkylamine No QSA28ter.AromaticN-acyl amine No QSA29.Aromaticdiazo No QSA30.Coumarins andFurocoumarins No QAnyalert?.At leastone alerttired? Noalerts forcarcinogenic activity QSA17.Thiocarbonyl (Nongenotoxiccarcinogens) No QSA20.(Poly)HalogenatedCycloalkanes (Nongenotoxiccarcinogens) No QSA3la.Halogenatedbenzene (Nongenotoxiccarcinogens) No QSA3lb.HalogenatedPAH(naphthalenes,biphenyls, diphenyls) (Nongenotoxic No carcinogens) _QSA31c.Halogenateddibenzodioxins (Nongenotoxiccarcinogens) No QNongenotoxic alert?.At leastone alertfornongenotoxiccarcinogenicityfired? No alerts forcarcinogenic activity QQSAR13 applicable?.a.,f3 unsaturatedaldehyde No QSAlO.a.,f3 unsaturatedcarbonyls No QaN=Na.Aromaticdiazo No Qar-N=CH2.Derivedaromatic amines No QQ_SAR6,8 applicable?.Aromatic amine without sulfonic grouponthe samering No 

# )**~-~** .lL_:.. l **~~-l~~-~** u .. Intertek Expert Services ( Toxicology and Environmental Assessments Group (c

## ( IntertekExpert Services Toxicology and EnvironmentalAssessments Group MPBPVP (v1.43) Program Results: Experimental Database Structure Match: no data



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

# J

v1.43 Boiling Point: 380.50 deg C (Adapted Stein and Brown Method) Melting Point: Melting Point: Mean Melt Pt Selected MP: 333.32 deg 108.51 deg 220.92 deg 153.47 deg C C (Adapted Joback Method) C (Gold and Ogle Method) C (Joback; Gold,Ogle Methods) (Weighted Value) Vapor Pressure Estimations (25 deg C): (Using BP: 380.50 deg C (estimated)) (Using MP: 153.47 deg C (estimated)) VP: 3.28E-009 mm Hg (Antoine Method) 4.37E-007 Pa (Antoine Method) VP: 1.49E-008 mm Hg (Modified Grain Method) 1.99E-006 Pa (Modified Grain Method) VP: 2.67E-006 mm Hg (Mackay Method) 0.000357 Pa (Mackay Method) Selected VP: 1.49E-008 mm Hg (Modified Grain Method) 1.99E-006 Pa (Modified Grain Method) Subcooled liquid VP: 3.05E-007 mm Hg (25 deg C, Mod-Grain method) 4.06E-005 Pa (25 deg C, Mod-Grain method) 

## -------+-----+--------------------+----------+--------- TYPE I 

### NUM I 

### BOIL DESCRIPTION COEFF VALUE 

## -------+-----+--------------------+----------+--------- Group 2 I 

### -CH2- 24.22 48.44 Group 2 I 

### >CH- 11.86 23.72 Group 2 

### I >C< 4.50 9.00 Group 2 I 

### #C- 32.99 65.98 Group 2 I -0- 

### (nonring) 25.16 50.32 Group 2 I 

### -OH (secondary) 80.63 161.26 Group 6 I 

### -Cl (tertiary) 36.23 I 

### 217.38 

### * I I Equation Constant I 198.18 

## =============+====================+==========+========= RESULT-uncorrl BOILING POINT in 

### deg Kelvin I 

### 774.28 RESULT- corr I 

### BOILING POINT in deg Kelvin I 

### 653.66 I 

### BOILING POINT in deg C I 

### 380.50 

## -------+-----+--------------------+----------+--------- TYPE I 

### NUM I 

### MELT DESCRIPTION COEFF VALUE 

## -------+-----+--------------------+----------+--------- Group 2 -CH2- 11.27 22.54 Group 2 >CH- 12.64 25.28 Group 2 >C< 46.43 92.86 Group 2 #C- 64.32 128.64 Group 2 -0- (nonring) 22.23 44.46 Group 2 -OH (secondary) 44.45 88.90 Group 6 -Cl (tertiary) 13.55 I 

### 81.30 " 1 I 

### Equation Constant I 

### 122.50 

## =============+====================+==========+========= 

# )

)

## ( lntertekExpert Services ToxicologyandEnvironmental AssessmentsGroup 

### RESULT I 

### MELTING POINT in deg Kelvin 606.48 MELTING POINT in deg C I 

### 333.32

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

## ======================================== Water Sol: 478.1 mg/L 

# J

WSKOW v1.41 Results Log Kow (estimated) 1.08 Log Kow (experimental): not available from database Log Kow used by Water solubility estimates: 1.08 Equation Used to Make Water,Sol estimate: LogS (mol/L) = 0.796- 0.854 log Kow- 0.00728 MW +Correction (used when Melting Point NOT available) Correction(s): Value No Applicable Correction Factors Log Water Solubility (in moles/L) -2.901 Water Solubility at 25 deg C (mg/L): 478.1

WATERNT Program (v1.01) Results: 

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

# [

.. 1

-------+-----+--------------------------------------------+----------+--------- TYPE I 

### NUM I 

### WATER SOLUBILITY FRAGMENT DESCRIPTION COEFF VALUE -------+-----+--------------------------------------------+----------+--------- Frag 2 -CH2- [aliphatic carbon] 1-0.5370 -1.0740 Frag 2 -CH [aliphatic carbon] 1-0.5285 -1.0570 Frag 2 C [aliphatic carbon

- No H, not tert] l-1.0516 -2.1033 Frag 2 oC [acetylenic carbon] 1-0.2829 -0.5659 Frag 2 -OH [hydroxy, aliphatic attach] 

### I 1.6012 3.2025 Frag 2 -0- [oxygen, aliphatic attach] I 

### 1.2746 2.5492 Frag 6 -CL [chlorine, aliphatic attach] 1-0.2872 -1.7232 Const Equation Constant I 

### 0.2492 -------+-----+--------------------------------------------+----------+--------- Log Water Sol (moles/L) at 25 dec C -0.5225 Water Solubility (mg/1) at 25 dec C =1.1435e+005

ECOSAR Program 

### (vl.OO) Results: 

### ==============================

# ( fntertek Expert Services ToxicologyandEnvironmentalAssessments Group
CHEM CAS Num: ChemiDl: ChemiD2: ChemiD3:

, ( 1

**l~f** , I \;

ECOSAR vl.OO Class(es) Found Propargyl Ethers Halo Ethers Halo Alcohols Predicted 

# J

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

**==~========================** 

## ================== ======== ====== 

## ========== Propargyl Ethers Propargyl Ethers Propargyl Ethers Propargyl Ethers Propargyl Ethers Propargyl Ethers Halo Ethers Halo Ethers Halo Ethers Halo Ethers Halo Alcohols Halo Alcohols Halo Alcohols Halo Alcohols Fish Daphnid Green Algae Fish Daphnid Green Algae Fish Daphnid Fish Daphnid Fish Green Algae Fish Green Algae 96-hr 48-hr 96-hr 21-day
96-hr 48-hr

96-hr 96-hr LC50 LC50 EC50 ChV ChV ChV LC50 LC50 ChV ChV LC50 EC50 ChV ChV 238.120 3371.433 

### *

575.424 

### *

16.910

3.226 180.835 364.398

82.997 24.342

6.649 173.088 0.164 30.870

0.088 

## =========================== ====== 

## ========== Neutral Organic SAR (Baseline Toxicity)

Green Algae Fish Daphnid Green Algae Fish Daphnid 96-hr EC50 ChV ChV ChV 96-hr 48-hr 267.877 169.819

71.098 81.995 Note: 

### * = asterisk designates: Chemical may not be soluble enough to measure this predicted effect. LC50 1752.988 LC50 905.347

Note: ! = exclamation designates: The toxicity value was determined from a predicted SAR using established acute-to-chronic ratios and ECOSAR regression techniques which are documented in the supporting Technical Reference Manual. When possible, this toxicity value should be considered in a weight of evidence approach. Propargyl Ethers: For Fish and Daphnid Acute Toxicity Values: If the log Kow of the chemical is greater than 5.0, or if the compound is solid and the LCSO exceeds the water solubility by lOX, no effects at saturation are predicted for these endpoints. 

### * */ I "'-- IntertekExpertServices ToxicologyandEnvironmental AssessmentsGroup For Green Algae Acute Toxicity Values: If the log Kow of the chemical is greater than 6.4, or if the compound is solid and the EC50 exceeds the water solubility by lOX, no effects at saturation are predicted for these endpoints. For All Chronic Toxicity Values: If the log Kow of the chemical is greater than 8.0, or if the compound is solid and the ChV exceeds the water solubility by lOX, no effects at saturation are predicted for these endpoints. ECOSAR vl.OO SAR Limitations: Maximum LogKow: 5.0 (LC50) Maximum LogKow: 6.4 (EC50) Maximum LogKow: 8.0 (ChV) Maximum Mol Wt: 1000 Halo Ethers For Fish and Daphnid Acute Toxicity Values: If the log Kow of the chemical is greater than 5.0, or if the compound is solid and the LC50 exceeds the water solubility by lOX, no effects at saturation are predicted for these endpoints. For Green Algae Acute Toxicity Values: If the log Kow of the chemical is greater than 6.4, or if the compound is solid and the EC50 exceeds the water solubility by lOX, no effects at saturation are predicted for these endpoints. For All Chronic Toxicity Values: If the log Kow of the chemical is greater than 8.0, or if the compound is solid and the ChV exceeds the water solubility by lOX, no effects at saturation are predicted for these endpoints. ECOSAR vl.OO SAR Limitations: Maximum LogKow: 5.0 (LC50) Maximum LogKow: 6.4 (EC50) Maximum LogKow: 8.0 (ChV) Maximum Mol Wt: 1000 Halo Alcohols : For Fish and Daphnid Acute Toxicity Values: If the log Kow of the chemical is greater than 5.0, or if the compound is solid and the LC50 exceeds the water solubility by lOX, no effects at saturation are predicted for these endpoints. For Green Algae Acute Toxicity Values: If the log Kow of the chemical is greater than 6.4, or if the compound 

### is solid and the EC50 exceeds the water solubility by lOX, no effects at saturation are predicted for these endpoints. For All Chronic Toxicity Values: If the log Kow of the chemical 

### is greater than 8.0, or if the compound is solid and the ChV exceeds the water solubility by lOX, no effects at saturation are predicted for these endpoints. ECOSAR vl.OO SAR Limitations: Maximum LogKow: 5.0 (LC50) Maximum LogKow: 6.4 (EC50) Maximum LogKow: 8.0 (ChV) Maximum Mol Wt: 1000 Baseline Toxicity SAR Limitations:**----~__j_** -1. JJ ; **--~-~~--.-._** ... **,.~-·~---~** r) l-

!ntertek Expert Services Toxicology and Environmental Assessments Group Maximum LogKow: 5.0 (Fish 96-hr LCSO; Maximum LogKow: 6.4 (Green Algae ECSO) Maximum LogKow: 8.0 (ChV) Maximum Mol Wt: 1000 HENRYWIN (v3.20) Program Results: ============================= For Henry LC Comparison Purposes: Exper Database: none available User-Entered Henry LC: not entered

Daphnid LCSO) Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]: HLC: 1.562E-Oll atm-m3/mole (1.583E-006 Pa-m3/mole)

VP: 1.49E-008 mm Hg (source: MPBPVP) WS: 478 mg/L (source: WSKOWWIN)

I / **~,,**lntertek Expert Services Toxicologyand EnvironmentalAssessments Group


### Log Octanol-Air (KOAWIN vl.lO) Results: Log Koa: 13. 6 4 7 

# ]

KOAWIN vl.lO Results
-------------------------- Log Koa (octanol/air) estimate: 13.647 Koa (octanol/air) estimate: 4.436e+013 Using: Log Kow: HenryLC: Log Kaw: LogKow LogKow Henry LC: 1.08 (KowWin est) 6.63e-015 atm-m3/mole (HenryWin est) -12.567 (air/water part.coef.) (exp database) 1.08 (KowWin estimate)

--- atm-m3/mole(exp database) Henry LC: 6.63e-015 atm-m3/mole (HenryWin bond estimate) Log Koa (octanol/air) estimate: 13.647 (from KowWin/HenryWin)

BIOWIN (v4.10) Program Results: 

### ==============================



# ---~--------------------- --------------------------- BIOWIN v4.10 Results Biowinl (Linear Model Prediction) Does Not Biodegrade Fast Biowin2 (Non-Linear Model Prediction): Does Not Biodegrade Fast Biowin3 (Ultimate Biodegradation Timeframe): Recalcitrant Biowin4 (Primary Biodegradation Timeframe): Weeks-Months Biowin5 (MITI Linear Model Prediction) Does Not Biodegrade Fast Biowin6 (MITI Non-Linear Model Prediction) : Does Not Biodegrade Fast Biowin7 (Anaerobic Model Prediction): Does Not Biodegrade Fast Ready Biodegradability Prediction: NO ------+-----+--------------------------------------------+---------+--------- TYPE I 

### NUM I 

### Biowinl FRAGMENT DESCRIPTION COEFF VALUE ------+-----+--------------------------------------------+---------+--------- Frag 2 Aliphatic alcohol [-OH] 0.1587 0.3175 Frag 6 Aliphatic chloride [-CL] -0.1114 -0.6683 Frag 2 Carbon with 4 single bonds & 

### no hydrogens -0.1839 -0.3679 Frag I 

### 2 Aliphatic ether [C-0-C] -0.3474 -0.6947 MolWtl 

### * Molecular Weight Parameter -0.1813 Constl 

### * Equation Constant 0.7475 

### ============+============================================+=========+========= RESULT Biowinl (Linear Biodeg Probability) I 

### -0.8472 

### ============+============================================+=========+=========

**------+-----+------------~-----------------------~-------+---------+---------** 

### TYPE I 

### NUM I 

### Biowin2 FRAGMENT DESCRIPTION COEFF VALUEIntertek Expert Services Toxicology and Environmental Assessments Group 

## ------+-----+--------------------------------------------+---------+--------- Frag 2 Aliphatic alcohol [-OH] 1.1178 I 

### 2.2356 Frag 6 Aliphatic chloride [-CL] -1.8528 1-11.1168 Frag 2 Carbon with 4 single bonds & 

### no hydrogens -1.7232 

### I -3.4464 Frag I 

### 2 Aliphatic ether [C-0-C] -3.4294 I 

### -6.8588 MolWtl 

### * Molecular Weight Parameter 

### I -5.4083 

## ============+============================================+=========+========= RESULT Biowin2 (Non-Linear Biodeg Probability) 0.0000 

## ============+============================================+=========+========= A Probability Greater Than or Equal to 0.5 indicates --> 

### Biodegrades Fast A Probability Less Than 0.5 indicates --> 

### Does NOT Biodegrade Fast 

## ------+-----+--------------------------------------------+---------+--------- TYPE I 

### NUM I 

### Biowin3 FRAGMENT DESCRIPTION COEFF VALUE 

## ------+-----+--------------------------------------------+---------+--------- Frag 2 Aliphatic alcohol [-OH] I 

### 0.1600 0.3199 Frag 6 Aliphatic chloride [-CL] 

### I -0.1732 -1.0391 Frag 2 Carbon with 4 single bonds & 

### no hydrogens I 

### -0.2121 -0.4242 Frag 

### I 2 Aliphatic ether [C-0-C] 

### I -0.0087 -0.0173 MolWtl 

## * Molecular Weight Parameter I 

### -0.8417 Constl 

### * Equation Constant I 

### 3.1992 

## ============+============================================+=========+========= RESULT Biowin3 (Survey Model

- Ultimate Biodeg) 1.1968 

## ============+============================================+=========+========= ------+-----+--------------------------------------------+---------+--------- TYPE I 

### NUM I 

### Biowin4 FRAGMENT DESCRIPTION COEFF VALUE 

## ------+-----+--------------------------------------------+---------+--------- Frag I 

### 2 I 

### Aliphatic alcohol [-OH] I 

### 0.1294 0.2589 Frag I 

### 6 I 

### Aliphatic chloride [-CL] I 

### -0.1006 -0.6037 Frag I 

### 2 I 

### Carbon with 4 single bonds & 

### no hydrogens I 

### -0.1534 -0.3069 Frag I 

### 2 I 

### Aliphatic ether [C-0-C] I 

### -0.0097 -0.0195 MolWtl 

## * I 

### Molecular Weight Parameter I 

### -0.5495 Constl 

### * I 

### Equation Constant I 

### 3.8477 

## ============+============================================+=========+========= RESULT Biowin4 (Survey Model

- Primary Biodeg) 

### I 2.6271 

## ============+============================================+=========+========= Result Classification: 5.00 -> 

### hours (Primary & Ultimate) 2.00 -> 

### months 4.00 -> 

### days 1.

### 00 -> 

### longer 3.00 -> 

### weeks


## ------+-----+--------------------------------------------+---------+--------- TYPE I 

### NUM I 

### Biowin5 FRAGMENT DESCRIPTION COEFF VALUE 

## ------+-----+--------------------------------------------+---------+--------- Frag 2 Aliphatic alcohol [-OH] 0.1611 0.3223 Frag 6 Aliphatic chloride [-CL] 0.0011 0.0065 Frag 2 Carbon with 4 single bonds & 

### no hydrogens 0.0676 0.1352 Frag 2 Aliphatic ether [C-0-C] 0.0015 0.0029 Frag 2 -CH2- [linear] 0.0494 0.0988 Frag 2 -CH- [linear] -0.0507 -0.1013 MolWtl 

### * Molecular Weight Parameter -1.1331 Constl 

### * Equation Constant 0.7121 

## ============+============================================+=========+========= RESULT Biowin5 (MITI Linear Biodeg Probability) 0.0435 

## ============+============================================+=========+========= ------+-----+--------------------------------------------+---------+--------- TYPE I 

### NUM I 

### Biowin6 FRAGMENT DESCRIPTION COEFF VALUE 

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

# [ 

# r fntertek Expert Services ToxicologyandEnvironmental Assessments Group 

### Frag 

### I 6 

### Aliphatic chloride [-CL) -0.6391 -3.8348 Frag 

### I 2 Carbon with 4 single bonds & 

### no hydrogens 0.3990 0.7980 Frag 

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

### I 2 -CH2- [linear] 0.4295 0.8590 Frag 

### I 2 -CH- [linear] -0.0998 

### I -0.1995 MolWtl 

### * Molecular Weight Parameter 1-10.9952 

## ============+============================================+=========+========= RESULT 1Biowin6 (MITI Non-Linear Biodeg Probability) I 

### 0.0001 

## ============+============================================+=========+========= A Probability Greater Than or Equal to 0.5 indicates --> 

### Readily Degradable A Probability Less Than 0.5 indicates --> 

### NOT Readily Degradable 

## ------+-----+--------------------------------------------+---------+--------- TYPE 

### I NUM 

### I Biowin7 FRAGMENT DESCRIPTION 

### I COEFF 

### I VALUE 

## ------+-----+--------------------------------------------+---------+--------- Frag 2 Aliphatic alcohol [-OH] 0.1328 0.2655 Frag 6 Aliphatic chloride [-CL] -0.0147 -0.0880 Frag 2 Carbon with 4 single bonds & 

### no hydrogens -0.3342 -0.6685 Frag 2 Aliphatic ether [C-0-C] -0.2573 -0.5145 Frag 2 -CH2- [linear) 0.0260 0.0520 Frag 2 -CH- [linear] -0.1659 -0.3317 Constl 

### * Equation Constant 0.8361 

## ============+============================================+=========+========= RESULT Biowin7 (Anaerobic Linear Biodeg Prob) 

### I -0.4490 

## ============+============================================+=========+========= A Probability Greater Than or Equal to 0.5 indicates --> 

### Biodegrades Fast A Probability Less Than 0.5 indicates --> 

### Does NOT Biodegrade Fast Ready Biodegradability Prediction: (YES or NO) Criteria for the YES or NO prediction: If the Biowin3 (ultimate survey model) result is "weeks" or faster (i.e. "days", "days to weeks", or "weeks" AND the Biowin5 (MITI linear model) probability is >= 

### 0.5, then the prediction is YES (readily biodegradable). If this condition is not satisfied, the prediction is NO (not readily biodegradable). This method is based on application of Bayesian analysis to ready biodegradation data (see Help). Biowin5 and 6 also predict ready biodegradability, but for degradation in the OECD301C test only; using data from the Chemicals Evaluation and Research Institute Japan (CERIJ) database.

BioHCwin (v1.01) Program Results: 

### ==============================

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

# J

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

# ]

# r

c IntertekExpert Services Toxicologyand Environmental Assessments Group 

### AEROWIN Program (vl.OO) Results: Sorption to aerosols (25 Dec C) [AEROWIN vl.OO]: Vapor pressure (liquid/subcooled): 4.07E-005 Pa (3.05E-007 mm Hg) Log Koa (Koawin est ): 13.647 Kp (particle/gas partition coef. (m3/ug)): Mackay model 0.0738 Octanol/air (Koa) model: 10.9 Fraction sorbed to airborne particulates (phi): Junge-Pankow model 0.727 Mackay model 0.855 Octanol/air (Koa) model: 0.999
AOP Program (vl.92) Results: 

# 1

SUMMARY (AOP vl.92): HYDROXYL RADICALS (25 Hydrogen Reaction Addition Addition Addition Addition Abstraction with N, S and -OH to Triple Bonds to Olefinic Bonds to Aromatic Rings to Fused Rings 7.5838 E-12 cm3/molecule-sec 0.2800 E-12 cm3/molecule-sec 27.0000 E-12 cm3/molecule-sec

0.0000 E-12 cm3/molecule-sec 0.0000 E-12 cm3/molecule-sec 0.0000 E-12 cm3/molecule-sec OVERALL OH Rate Constant 34.8638 E-12 cm3/molecule-sec HALF-LIFE = 0.307 Days (12-hr day; 1.5E6 OH/cm3) HALF-LIFE= 3.682 Hrs deg C)

--------

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

----------- OVERALL OZONE Rate Constant 0.003000 E-17 cm3/molecule-sec HALF-LIFE = 382.000 Days (at ?Ell mol/cm3) Experimental Database: NO Structure Matches Fraction sorbed to airborne particulates (phi): 0.791 (Junge-Pankow, Mackay avg) 0.999 (Koa method) Note: the sorbed fraction may be resistant to atmospheric oxidation

KOCWIN Program (v2.00) Results: 

# J '.....,:·



### KOCWIN v2.00 Results Koc Estimate from MCI: First Order Molecular Connectivity Index

.......... . Non-Corrected Log Koc (0.5213 MCI + 

### 0.60) Fragment Correction(s): 2 Aliphatic Alcohol (-C-OH)

........... : -2.6358 2 Ether, aliphatic (-C-0-C-) . . . . . . . . . . : -1.7432 Corrected Log Koc

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

... : 8.049 4.7955

0.4165 1.0000

# [ lntertekExpert Services Toxicology and Environmental Assessments Group


### Estimated Koc: 10 L/kg 

## <=========== Koc Estimate from Log Kow: Log Kow (Kowwin estimate) ........................ . Non-Corrected Log Koc (0.55313 logKow + 

### 0.9251) Fragment Correction(s): 2 Aliphatic Alcohol (-C-OH) . . . . . . . . . . . : -0.8229 2 Ether, aliphatic (-C-0-C-)
.......... : -0.1812 Corrected Log Koc ................................. . Estimated Koc: 3.299 L/kg 

## <===========

HYDROWIN Program (v2.00) Results: 

## ================================ 1.

### 08 1.5225

0.5184 

# J

HYDROWIN v2.00 Results --------------------------- Currently, this program can NOT estimate a hydrolysis rate constant for the type of chemical structure entered!! ONLY Esters, Carbamates, Epoxides, Halomethanes (containing 1-3 halogens), Specific Alkyl Halides & 

### Phosphorus Esters can be estimated!! When present, various hydrolyzable compound-types will be identified. For more information, (Click OVERVIEW in Help or see the User's Guide) 

### ***** CALCULATION NOT PERFORMED 

### *****

BCFBAF Program (v3.00) Results:

,'r 

# '·j ==============================

----------------- BCFBAF v3.00 -------------------------------- Summary Results: Log BCF (regression-based estimate): Biotransformation Half-Life (days) : Log BAF (Arnot-Gobas upper crophic): 0.38 (BCF 

### = 2.41 L/kg wet-wt) 0.0764 (normalized to 10 g fish) 0.26 (BAF = 

### 1.84 L/kg wet-wt) Log Kow (experimental): not available from database Log Kow used by BCF estimates: 1.08 Equation Used to Make BCF estimate: Log BCF = 

### 0.6598 log Kow

- 0.333 + 

### Correction Correction(s): Value No Applicable Correction Factors Estimated Log BCF = 

### 0.381 (BCF 2.406 L/kg wet-wt)Intertek Expert Services Toxicologyand Environmental Assessments Group



### Whole Body Primary Biotransformation Rate Estimate for Fish: 

## =========================================================== ------+-----+--------------------------------------------+---------+--------- TYPE 

### I NUM 

### I LOG BIOTRANSFORMATION FRAGMENT DESCRIPTION 

### I COEFF VALUE 

## ------+-----+--------------------------------------------+---------+--------- Frag 2 Aliphatic alcohol [-OH] -0.0616 -0.1231 Frag 6 Aliphatic chloride [-CL] 0.3608 2.1646 Frag 2 Carbon with 4 single bonds & 

### no hydrogens -0.2984 -0.5969 Frag 2 Aliphatic ether [C-0-C] -0.0232 -0.0465 Frag 2 -CH2- [linear] 0.0242 0.0484 Frag I 

### 2 -CH- [linear] -0.1912 -0.3825 L Kowl 

### * Log Kow 

## = 1.08 (KowWin estimate) 0.3073 0.3327 MolWtl 

### * Molecular Weight Parameter -0.9767 Constl 

### * Equation Constant -1.5058 

## ============+============================================+=========+========= RESULT RESULT NOTE LOG Bio Half-Life (days) I 

### Bio Half-Life (days) I 

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

### -1.1170 I 

### 0.07639 I 

## ============+============================================+=========+========= Biotransformation Rate Constant: kM (Rate Constant): 9.074 /day (10 gram fish) kM (Rate Constant): 5.103 /day (100 gram fish) kM (Rate Constant): 2.87 /day (1 kg fish) kM (Rate Constant): 1.614 /day (10 kg fish) Arnot-Gobas BCF & 

### BAF Methods (including biotransformation rate estimates): Estimated Log BCF (upper trophic) 0.265 (BCF 1.84 L/kg wet-wt) Estimated Log BAF (upper trophic) 0.265 (BAF 1.84 L/kg wet-wt) Estimated Log BCF (mid trophic) 0.215 (BCF 1.639 L/kg wet-wt) Estimated Log BAF (mid trophic) 0.215 (BAF 1.639 L/kg wet-wt) Estimated Log BCF (lower trophic) 0.198 (BCF 1.577 L/kg wet-wt) Estimated Log BAF (lower trophic) 0.198 (BAF 1.577 L/kg wet-wt) Arnot-Gobas BCF 

### & BAF Methods (assuming a biotransformation rate of zero): Estimated Log BCF (upper trophic) 0.340 (BCF 2.187 L/kg wet-wt) Estimated Log BAF (upper trophic) 

## = 0.343 (BAF 

## = 2.205 L/kg wet-wt)

Volatilization From Water 

## ========================= Chemical Name: 

# [

----- 

# l Molecular Weight Water Solubility Vapor Pressure Henry's Law Constant: 6.63E-015 atm-m3/mole (estimated by Bond SAR Method) RIVER LAKE Water Depth (meters): Wind Velocity (m/sec): Current Velocity (m/sec): 1 5 1 

### HALF-LIFE (hours) : 1.723E+Oll 1 

### 0.5 0.05 1.88E+012

# ( IntertekExpertServices Toxicology and Environmental Assessments Group HALF-LIFE (days ) HALF-LIFE (years) 7.181E+009 1.966E+007 7.834E+010 2.145E+008
STP Fugacity Model: Predicted Fate in a Wastewater Treatment Facility 

## ====================================================================== (using Biowin/EPA draft method) PROPERTIES OF:

; ' :: Aqueous**so~uo1lity** (mg/1) Vapour pressure (Pa) (atm) 0**(~~)** 0 Henry 's law constant (Atm-m3/mol) Air-water partition coefficient Octanol-water partition coefficient (Kow) Log Kow Biomass to water partition coefficient Temperature [deg C] Biodeg rate constants (hA-1),half life in biomass (h) (h): -Primary tank -Aeration tank -Settling tank 0.01 0.01 

### 0.01 63.68 63.68 63.68 STP Overall Chemical Mass Balance: g/h mol/h percent Influent 1.00E+001 Primary sludge 2.78E-002 Waste sludge 1.52E-001 Primary volatilization 3.61E-012 Settling volatilization 9.84E-012 Aeration off gas 2.43E-011 Primary biodegradation 1.77E-003 Settling biodegradation 5.29E-004 Aeration biodegradation 6.96E-003 Final water effluent 9.81E+000 Total removal 1.89E-001 Total biodegradation 9.26E-003
Level III Fugacity Model (Full-Output): 10000.00 10000.00 10000.00

2.6E-002 7.3E-005 4.0E-004 9.5E-015 2.6E-014 6.4E-014 4.6E-006 1.4E-006 1.8E-005 2.6E-002 5.0E-004 2.4E-005

Henry's LC Vapor Press Liquid VP Melting Pt Log Kow Soil Koc

# i:~~J!-015 a}m3/mole (Henrywin program) 1.49e-008**~** Hg (Mpbpwin program) 2.78e-007**~** Hg (super-cooled)

Mass Amount (percent) 153 deg C (Mpbpwin program) 1.08 (Kowwin program) 10 (KOCWIN MCI method)

Half-Life (hr) Emissions (kg/hr) 

### u 0 

# J

6.63E-015 2.71147E-013 12.0226 1.08 3.20453 25 and in 2000 mg/L MLSS

100.00

0.28 1.52 0.00 0.00 0.00 0.02 0.01 0.07 98.11

1.89 0.09IntertekExpert Services Toxicologyand EnvironmentalAssessments Group 

### Air Water Soil Sediment Fugacity (atm) Air Water Soil Sediment 1.97e-007 40.1 59.8 0.0988 Reaction (kg/hr) 1.74e-018 2.04e-019 6.26e-018 2.03e-019 7.36 4.32e+003 8.64e+003 3.89e+004 Advection (kg/hr) 0.00108 376 281 0.103 Persistence Time: Reaction Time: Advection Time: Percent Reacted: 1.95e+003 hr 8.91e+003 hr 2.49e+003 hr 21.9 Percent Advected: 78.1 1000 1000 1000 0 

### Reaction (percent) 0.000115 2.34e+003 0 

### 0.116 Advection (percent) 3.61e-005 12.5 9.35 0.00343

Half-Lives (hr), (based upon Biowin (Ultimate) and Aopwin): Air: 7.357 Water: 4320 Soil: 8640 Sediment: 3.888e+004 Biowin estimate: 1.197 (recalcitrant) Advection Times (hr): Air: 100 Water: 1000 Sediment: 5e+004 3.83e-006 78.1 0 

### 0.00385

### ATTACHMENT HEADER SHEET

Attachment Number005
Attachment Name AssessmentofToxicity and Chemical Characteristics


### Associated PMN Section Number N/A

Does notcontain CBI



### Report Number PROC110207243555108

### [ntertekExpertServices Toxicology andEnvironmentalAssessments Group



### Summary
The TOXTREE model1 

### indicatesthe material has nostructural alertsfor mutagenicityand is unlikelyto be agenotoxicor non-genotoxiccarcinogen. The detailed outputofthe model is provided inTable 

### 1. Based on chemical analogs (National Library ofMedicine)this compound is considered moderatelyto slightlytoxic in acute exposures. The environmental chemistry and ecotoxicityofthe compound was estimated withthe EPA EPIWIN model and the outputofthe model is provided in (Table 2). The compound is predicted to have moderatewatersolubility {3913 mg/L). The material has a lowcalculated octanol-water partition coefficient (Log Kow) of0.57 and consequently it has a low potentialto bioaccumulate (calculated Log BCF =0.500).

1 R. Benigni, R., C. Bossa, N. Jeliazkova, T. Netzeva and A. Worth.The Benigni

### I Bossa rulebasefor mutagenicity and carcinogenicity- a moduleofToxtree. 2008. 68 pp. EUR- Scientific and Technical Research series -ISSN 1018-5593.Intertek Expert Services ToxicologyandEnvironmental Assessments Group 

### The ECOSAR submodel predicted the material will have lowtoxicityto aquaticorganisms. The compound is predicted to not biodegrade rapidly. Primary biodegradation is estimated to require days orweeks. Based on model result[

. considered a PBT2 

### substance.

SAR Modeling3



### • Physical 

## I Chemical Properties Melting Point : Boiling Point : WaterSolubility: Log 

### Kow: 157.90 °C 382.91 °C 3913 mg/L 0.57

• Biodegradation: linearand non-linear models predictslow biodegradation. MITIIinear and non-linear models also predict slow biodegradation. The results ofall the models are consistent and favorslow biodegradation.

• AquaticToxicitl: LCso (96-hrfish) 

# = LCso (48-hrdaphnid) = 

### ECso (96-hrgreen algae)

# = 3761 mg/ L 1826 mg/ L

438 mg/ L Neutral OrganicsModel Neutral Organics Model Neutral Organics Model

• Bioconcentration (BCF): log BCF = 

### 0.50 (low potentialto bioaccumulate)

2 PBT

### =Persistence BioaccumulativeToxic 3 EPA EPIWIN Model, Syracuse Research CorporationlntertekExpert Services Toxicology andEnvironmental AssessmentsGroup



### Table 1. TOXTREE Model output

# ro( 

# J
QSAl.Acylhalides No QSA2.Aikyl(C<5)orbenzylesterofsuiphonicorphosphonic acid No QSA3.N-methylol derivatives No QSA4.Monohaloalkene No QSA5.S orN mustard No QSA6.ProQiolactonesand propiosultones No QSA 7.Epoxidesand aziridines No QSA8.Aiiphatichalogens No QSA9.Aikylnitrite No QSAll.Simplealdehyde No QSA12.Quinones No QSA13.Hydrazine No QSA14.Aiiphatic azoandazoxy No QSA15.1socyanate and isothiocyanategroups No QSA16.Aikylcarbamate and thiocarbamate No QSA18.PolycyclicAromatic Hydrocarbons No QSA19.HeterocyclicPolycyclicAromatic Hydrocarbons No QSA2l.Alkyland aryl N-nitroso groups No QSA22.Azideand triazene groups No QSA23.AiiphaticN-nitro No

.QSA24.a,6unsaturated alkoxy No QSA25.Aromatic nitrosogroup No QSA26.AromaticringN-oxide No QSA27.Nitroaromatic No QSA28.Primaryaromatic amine, hydroxyl amine and its derivedesters (withrestrictions) No QSA28bis.Aromaticmono- anddialkylamine No QSA28ter.Aromatic N-acyl amine No QSA29.Aromaticdiazo No QSA30.CoumarinsandFurocoumarins No QAny alert?.At leastone alertfired? Noalerts forcarcinogenic activity QSA17.Thiocarbonyl (Nong_enotoxic carcinogens) No QSA20.(Poly) HalogenatedCycloalkanes(Nongenotoxiccarcinogens) No QSA3la.Halogenatedbenzene (Nongenotoxic carcinogens) No QSA3lb.HalogenatedPAH (naphthalenes,biphenyls, diphenyls) (Nongenotoxic No carcinogens) QSA31c.Halogenateddibenzodioxins (Nongenotoxiccarcinogens) No QNongenotoxic alert?.At leastone alertfornongenotoxic carcinogenicityfired? No alertsfor carcinogenic activity QQSAR13 applicable?.a.a unsaturated aldehyde No QSAIO.a.aunsaturatedcarbonyls No QaN=Na.Aromatic diazo No Qar-N=CH2.Derived aromatic amines No QQSAR6,8 applicable?.Aromatic amine withoutsulfonic group onthe same ring NoIntertekExpert Services Toxicology andEnvironmental Assessments Group



### ------------------------------ EPI SUMMARY (v4.00) ------------------------- Physical Property Inputs: Log Kow (octanol-water): Boiling Point (deg C) Melting Point (deg C) Vapor Pressure (mm Hg) Water Solubility (mg/L): Henry LC (atm-m3/mole) KOWWIN Program (vl.67) Results: 

## =============================== Log Kow(version 1.67 estimate): 0.57 

# r J

**-------~-----+--------------------------------------------+---------+-------** 

### TYPE I 

### NUM I 

### LOGKOW FRAGMENT DESCRIPTION COEFF VALUE 

# -------+-----+--------------------------------------------+---------+------- Frag Frag Frag Frag Frag Frag Frag Factor I 

### Factor I 

### Canst I 4 1 1 4 2 2 3 1 1 

### -CH2- [aliphatic carbon] -CH [aliphatic carbon] C [aliphatic carbon

- No H, not tert] #C [acetylenic carbon] -OH [hydroxy, aliphatic attach] -0- [oxygen, aliphatic attach] -CL [chlorine, aliphatic attach] C-0-C-0-C structure correction Multi-alcohol correction Equation Constant 0.

### 4911 0.3614 0.9723 I 

### 0.1334 1-1.4086 1-1.2566 I 

### 0.3102 I 

### 0.5036 I 

### 0.4064 I 

### 1.9644 0.3614 0.9723 0.5336 -2.8172 -2.5132

0.9306 0.5036 0.4064 0.2290 

# -------+-----+--------------------------------------------+---------+------- Log Kow 0.5709lntertekExpert Services · ToxicologyandEnvironmental Assessments Group



### MPBPVP (vl.43) Program Results: Experimental Database Structure Match: no data

•1 (' 

# J
(' .!.'

...L•.. ) 

### SUMMARY MPBVP vl.43
-------------------- Boiling Point: Melting Point: Melting Point: Mean Melt Pt Selected MP: 382.91 deg C (Adapted Stein and Brown Method) 349.84 deg C (Adapted Joback Method) 109.92 deg C (Gold and Ogle Method) 229.88 deg C (Joback; Gold,Ogle Methods) 157.90 deg C (Weighted Value) Vapor Pressure Estimations (25 deg C): (Using BP: 382.91 deg C (estimated)) (Using MP: 157.90 deg C (estimated)) VP: 2.35E-009 mm Hg (Antoine Method) 3.13E-007 Pa (Antoine Method) VP: 1.12E-008 mm Hg (Modified Grain Method) 1.5E-006 Pa (Modified Grain Method) VP: 2.12E-006 mm Hg (Mackay Method) 0.000282 Pa (Mackay Method) Selected VP: 1.12E-008 mm Hg (Modified Grain Method) 1.5E-006 Pa (Modified Grain Method) Subcooled liquid VP: 2.58E-007 mm Hg (25 deg C, Mod-Grain method) 3.44E-005 Pa (25 deg C, Mod-Grain method) 

# -------+-----+--------------------+----------+--------- TYPE I 

### NUM I 

### BOIL DESCRIPTION COEFF VALUE 

# -------+-----+--------------------+----------+--------- Group 4 -CH2- 24.22 96.88 Group 1 >CH- 11.86 11.86 Group 1 >C< 4.50 4.50 Group 4 #C- 32.99 131.96 Group 2 -0- 

### (nonring) 25.16 50.32 Group 2 -OH (primary) 88.46 176.92 Group 3 -Cl (tertiary) 36.23 I 

### 108.69 

### * I I Equation Constant I 198.18 

# =============+====================+==========+========= RESULT-uncorrl BOILING POINT in deg Kelvin 779.31 RESULT- corr I 

### BOILING POINT in deg Kelvin 656.07 I 

### BOILING POINT in deg C I 

### 382.91 

# -------+-----+--------------------+----------+--------- TYPE I 

### NUM I 

### MELT DESCRIPTION COEFF VALUE 

# -------+-----+--------------------+----------+--------- Group 4 -CH2- 11.27 45.08 Group 1 >CH- 12.64 12.64 Group 1 >C< 46.43 46.43 Group 4 #C- 64.32 257.28 Group 2 -0- (nonring) 22.23 44.46 Group 2 -OH (primary) 44.45 88.90

**·~·** ,_...-...T--=·

# rIntertekExpertServices Toxicology andEnvironmental Assessments Group Group I 

### * I 

### 3 I 

### -Cl (tertiary) I 

### Equation Constant 13.55 I 

### I 

### 40.65 122.50**====~========+====================+==========+=========** 

### RESULT I 

### MELTING POINT in deg Kelvin I 

### 657.94 RESULT-limit! MELTING POINT in deg Kelvin I 

### 623.00 I 

### MELTING POINT in deg C I 

### 349.84

Water Sol from Kow (WSKOW vl.41) Results:
Water Sol: 3913 mg/L

'j Ll.i .L \**I·~** 

### WSKOW vl.41 Results

--------------------- Log Kow (estimated) 0.57 Log Kow (experimental): not available from database Log Kow used by Water solubility estimates: 0.57 Equation Used to Make Water Sol estimate: LogS (mol/L) 

## = 0.796- 0.854 log Kow- 0.00728 MW +Correction (used when Melting Point NOT available) Correction(s): Value No Applicable Correction Factors Log Water Solubility (in moles/L) -1.887 Water Solubility at 25 deg C (mg/L): 3913

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

# [

.

-

I 

# l**~--------------------------------------------+----------+---------** 

### -----+-- TYPE I 

### NUM WATER SOLUBILITY FRAGMENT DESCRIPTION COEFF VALUE -------+-----+--------------------------------------------+----------+--------- Frag I 

### 4 I 

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

### 1 I 

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

### 1 I 

### C [aliphatic carbon

- No H, not tert] 1-1.0516 -1.0516 Frag I 

### 4 I 

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

### 2 I 

### -OH [hydroxy, aliphatic attach] I 

### 1.6012 3.2025 Frag I 

### 2 I 

### -0- [oxygen, aliphatic attach] I 

### 1.2746 2.5492 Frag I 3 I -CL [chlorine, aliphatic attach] 1-0.2872 -0.8616 Factor! 1 I 

### C-0-C-0-C structure correction 1-0.7456 -0.7456 Const I I 

### Equation Constant I 

### 0.2492 -------+-----+--------------------------------------------+----------+--------- Log Water Sol (moles/L) at 25 dec C -0.4662

### IntertekExpert Services Toxicology andEnvironmental Assessments Group Water Solubility (mg/L) at 25 dec C =1.0307e+005

ECOSAR Program (v1.00) Results: 

## ==============================

[



# ~hem!Dl' [ ChemiD2: ChemiD3: Log Kow:

**0.~7** (KowWin estimate) Melt Pt: Wat Sol: 3913 mg/L (WskowWin estimate) ECOSAR vl.OO C1ass(es) Found Propargyl Alcohols Propargyl Ethers Halo Ethers Predicted ECOSAR Class (ppm) Organism

# J

Duration End Pt


## =========================== ================== ======== ====== Propargyl Alcohols Propargyl Alcohols Propargyl Alcohols Propargyl Alcohols Propargyl Alcohols ! Propargyl Alcohols ! Propargyl Ethers Propargyl Ethers 

### * Propargyl Ethers Propargyl Ethers ! Propargyl Ethers ! Propargyl Ethers Halo Ethers Halo Ethers Halo Ethers Halo Ethers Fish Daphnid Green Algae Fish Daphnid Green Algae
Fish Daphnid Green Algae Fish Daphnid Green Algae Fish Daphnid Fish Daphnid 96-hr 48-hr 96-hr

96-hr 48-hr 96-hr 21-day

96-hr 48-hr LC50 LC50 EC50 ChV ChV ChV
LC50 LC50 EC50 ChV ChV ChV LC50 LC50 ChV ChV



## =========================== ================== ======== 

### ====== Neutral Organic SAR (Baseline Toxicity)

Green Algae Fish Daphnid Fish Daphnid 96-hr EC50 ChV ChV 96-hr 48-hr 438.004 368.546 131.005 LC50 LC50 mg/L

22.564 25.715 438.004

14.020

1.861 66.662
370.595 7765.344 1025.625 30.940

4.730 290.469 564.859 122.414

45.755 10.284

3761.593 1826.182IntertekExpert Services Toxicologyand Environmental Assessments Group

: Green Algae ChV 122.110 Note: 

### * 

## = asterisk designates: Chemical may not be soluble enough to measure this predicted effect. Note: ! = exclamation designates: The toxicity value was determined from a predicted SAR using established acute-to-chronic ratios and ECOSAR regression techniques which are documented in the supporting Technical Reference Manual. When possible, this toxicity value should be considered in a weight of evidence approach. Propargyl Alcohols: For Fish and Daphnid Acute Toxicity Values: If the log Kow of the chemical is greater than 5.0, or if the compound is solid and the LC50 exceeds the water solubility by lOX, no effects at saturation are predicted for these endpoints. For Green Algae Acute Toxicity Values: If the log Kow of the chemical is greater than 6.4, or if the compound is solid and the EC50 exceeds the water solubility by lOX, no effects at saturation are predicted for these endpoints. For All Chronic Toxicity Values: If the log Kow of the chemical is greater than 8.0, or if the compound is solid and the ChV exceeds the water solubility by lOX, no effects at saturation are predicted for these endpoints. ECOSAR vl.OO SAR Limitations: Maximum LogKow: 5.0 (LCSO) Maximum LogKow: 6.4 (ECSO) Maximum LogKow: 8.0 (ChV) Maximum Mol Wt: 1000 Propargyl Ethers: For Fish and Daphnid Acute Toxicity Values: If the log Kow of the chemical is greater than 5.0, or if the compound is solid and the LCSO exceeds the water solubility by lOX, no effects at saturation are predicted for these endpoints. For Green Algae Acute Toxicity Values: If the log Kow of the chemical is greater than 6.4, or if the compound is solid and the EC50 exceeds the water solubility by lOX, no effects at saturation are predicted for these endpoints. For All Chronic Toxicity Values: If the log Kow of the chemical is greater than 8.0, or if the compound is solid and the ChV exceeds the water solubility by lOX, no effects at saturation are predicted for these endpoints. ECOSAR vl.OO SAR Limitations: Maximum LogKow: 5.0 (LC50) Maximum LogKow: 6.4 (EC50) Maximum LogKow: 8.0 (ChV) Maximum Mol Wt: 1000 Halo Ethers!ntertekExpertServices Toxicology andEnvironmental Assessments Group For Fish and Daphnid Acute Toxicity Values: If the log Kow of the chemical 

### is greater than 5.0, or if the compound is solid and the LC50 exceeds the water solubility by lOX, no effects at saturation are predicted for these endpoints. For Green Algae Acute Toxicity Values: If the log Kow of the chemical is greater than 6.4, or if the compound 

### is solid and the EC50 exceeds the water solubility by lOX, no effects at saturation are predicted for these endpoints. For All Chronic Toxicity Values: If the log Kow of the chemical 

### is greater than 8.0, or if the compound is solid and the ChV exceeds the water solubility by lOX, no effects at saturation are predicted for these endpoints. ECOSAR vl.OO SAR Limitations: Maximum LogKow: 5.0 (LC50) Maximum LogKow: 6.4 (EC50) Maximum LogKow: 8.0 (ChV) Maximum Mol Wt: 1000 Baseline Toxicity SAR Limitations: Maximum LogKow: 5.0 (Fish 96-hr LC50; Daphnid LC50) Maximum LogKow: 6.4 (Green Algae EC50) Maximum LogKow: 8.0 (ChV) Maximum Mol Wt: 1000

HENRYWIN (v3.20) Program Results:

'
..

,, !... .' 1.. ,,.-•(}

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

# ----------+---------------------------------------------+---------+--------- CLASS BOND CONTRIBUTION DESCRIPTION 

### I COMMENT 

### I VALUE 

# ----------+---------------------------------------------+---------+--------- HYDROGEN 9 Hydrogen to Carbon (aliphatic) Bonds -1.0771 HYDROGEN 2 Hydrogen to Oxygen Bonds 6.4635 FRAGMENT 1 

## c-c 0. 1163 FRAGMENT 6 

## c-o 6.5128 FRAGMENT 4 

### c-ct 2.1500 FRAGMENT 3 C-CL 1.0004 FRAGMENT 2 C#C 0.0000 FACTOR 1 Additional aliphatic alcohol -OH(s) -3.0000 FACTOR 

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

# ----------+---------------------------------------------+---------+---------

# [ IntertekExpert Services Toxicology and EnvironmentalAssessments Group RESULT BOND ESTIMATION METHOD for LWAPC VALUE TOTAL I 11.466 ----------+---------------------------------------------+---------+--------- HENRYs LAW CONSTANT at 25 deg C 

## = 8.37E-014 atm-m3/mole 3.42E-012 unitless 

## = 8.48E-009 Pa-m3/mole

For Henry LC Comparison Purposes: Exper Database: none available User-Entered Henry LC: not entered Henrys LC [via VP/WSol estimate using User-Entered or Estimated values] : HLC: 1.136E-012 atm-m3/mole (1.151E-007 Pa-m3/mole) VP: 1.12E-008 mm Hg (source: MPBPVP) WS: 3.91E+003 mg/L (source: WSKOWWIN)

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

**====~=================================** Log Koa: 12.036 

# J

**-------~-----** 

# -------------- KOAWIN vl.lO Results -------------------------- Log Koa (octanol/air) estimate: 12.036 Koa (octanol/air) estimate: 1.086e+012 Using: Log Kow: HenryLC: Log Kaw: LogKow LogKow Henry LC: Henry LC: 0.57 (KowWin est) 8.37e-014 atm-m3/mole (HenryWin est) -11.466 (air/water part.coef.) (exp database) 0.57 (KowWin estimate)

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

**'-~**

' \ Intertek Expert Services Toxicologyand Environmental Assessments Group 

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

BIOWIN (v4.10) Program Results:

**=============================~** 

# ('· 

# J l

------------- BIOWIN v4.10 Results
Biowinl (Linear Model Prediction) Does Not Biodegrade Fast Biowin2 (Non-Linear Model Prediction): Does Not Biodegrade Fast Biowin3 (Ultimate Biodegradation Timeframe) : Months Biowin4 (Primary Biodegradation Timeframe): Weeks Biowin5 (MITI Linear Model Prediction) Does Not Biodegrade Fast Biowin6 (MITI Non-Linear Model Prediction): Does Not Biodegrade Fast Biowin7 (Anaerobic Model Prediction): Does Not Biodegrade Fast Ready Biodegradability Prediction: NO 

## ------+-----+--------------------------------------------+---------+-------- TYPE I NUM I Biowinl FRAGMENT DESCRIPTION COEFF VALUE 

## ------+-----+--------------------------------------------+---------+-------- Frag I 2 Aliphatic alcohol [-OH] 0.1587 0.3175 Frag I 3 Aliphatic chloride [-CL] -0.1114 -0.3342 Frag I 1 Carbon with 4 single bonds & 

### no hydrogens -0.1839 -0.1839 Frag I 2 Aliphatic ether [C-0-C] -0.3474 -0.6947 MolWtl 

### * Molecular Weight Parameter -0.1436 Constl 

### * Equation Constant 0.7475 

## ============+============================================+=========+======== RESULT Biowinl (Linear Biodeg Probability) 

### I -0.2914 

## ============+============================================+=========+======== ------+-----+--------------------------------------------+---------+-------- TYPE I NUM I Biowin2 FRAGMENT DESCRIPTION COEFF VALUE 

## ------+-----+--------------------------------------------+---------+-------- Frag I Frag I 

### Frag I 

### Frag I MolWtl 2 3 1 2 

### * Aliphatic alcohol [-OH] Aliphatic chloride [-CL] Carbon with 4 single bonds & 

### no hydrogens Aliphatic ether [C-0-C] Molecular Weight Parameter 1.1178 -1.8528 -1.7232 -3.4294 2.2356 -5.5584 -1.7232 -6.8588 -4.2821 

## ============+============================================+=========+======== RESULT Biowin2 (Non-Linear Biodeg Probability) 0.0000 

## ============+============================================+=========+========

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

### Biodegrades Fast A Probability Less Than 0.5 indicates --> 

### Does NOT Biodegrade Fast 

## ------+-----+--------------------------------------------+---------+-------- TYPE I 

### NUM I 

### Biowin3 FRAGMENT DESCRIPTION COEFF VALUElntertekExpert Services Toxicology and EnvironmentalAssessmentsGroup 

## ------+-----+--------------------------------------------+---------+-------- Frag I 2 Frag I 3 Frag I 1 Frag I 2 Mo1Wtl 

### * Constl 

### * Aliphatic alcohol [-OH) Aliphatic chloride [-CL] Carbon with 4 single bonds 

### & no hydrogens Aliphatic ether [C-0-C) Molecular Weight Parameter Equation Constant 0.1600 -0.1732 -0.2121 -0.0087 0.3199 -0.5195 -0.2121 -0.0173 -0.6664

3.1992 

## ============+============================================+=========+======== RESULT Biowin3 (Survey Model

- Ultimate Biodeg) 2.1037 

## ============+============================================+=========+========
------+-----+--------------------------------------------+---------+-------- TYPE I NUM I Biowin4 FRAGMENT DESCRIPTION COEFF VALUE 

## ------+-----+--------------------------------------------+---------+-------- Frag I 2 Aliphatic alcohol [-OH) 0.1294 0.2589 Frag I 3 Aliphatic chloride [-CL) -0.1006 -0.3018 Frag I 1 Carbon with 4 single bonds & no hydrogens -0.1534 -0.1534 Frag I 2 Aliphatic ether [C-0-C) -0.0097 -0.0195 MolWtl 

### * Molecular Weight Parameter -0.4351 Constl 

### * Equation Constant 3.8477 

## ============+============================================+=========+======== RESULT Biowin4 (Survey Model

- Primary Biodeg) 3.1968 

## ============+============================================+=========+========
Result Classification: 5.00 -> hours (Primary & Ultimate) 2.00 -> months 4.00 -> days 1.00 -> longer 3.00 -> weeks


## ------+-----+--------------------------------------------+---------+-------- TYPE I NUM I Biowin5 FRAGMENT DESCRIPTION COEFF VALUE 

## ------+-----+--------------------------------------------+---------+-------- Frag I 2 Frag I 3 Frag I 1 Frag I 2 Frag I 4 Frag I 1 MolWtl 

## * Constl 

## * Aliphatic alcohol [-OH) Aliphatic chloride [-CL) Carbon with 4 single bonds & no hydrogens Aliphatic ether [C-0-C) -CH2- [linear) -CH- [linear

### 1 Molecular Weight Parameter Equation Constant 0.1611 0.0011 0.0676 0.0015 0.0494 -0.0507 0.3223 0.0033 0.0676 0.0029 0.1977 -0.0507 -0.8971

0.7121 

## ============+============================================+=========+======== RESULT Biowin5 (MIT! Linear Biodeg Probability) 0.3581 

## ============+============================================+=========+========
------+-----+--------------------------------------------+---------+-------- TYPE I NUM I Biowin6 FRAGMENT DESCRIPTION COEFF VALUE 

## ------+-----+--------------------------------------------+---------+-------- Frag Frag Frag 2 3 1 Aliphatic alcohol [-OH) Aliphatic chloride [-CL] Carbon with 4 single bonds & no hydrogens



### ""1' 1.0041 -0.6391

0.3990 2.0083 -1.9174

0.3990[ntertek Expert Services ToxicologyandEnvironmentalAssessments Group Frag Frag Frag I MolWtl 2 4 1 

### * Aliphatic ether [C-0-C] -CH2- [linear] -CH- [linear] Molecular Weight Parameter -0.1071 0.4295 -0.0998 -0.2143 1.7180 -0.0998 -8.7055 

## ============+============================================+=========+======== RESULT 1Biowin6 (MITI Non-Linear Biodeg Probability) 

### I 0.0136 

## ============+============================================+=========+========

A Probability Greater Than or Equal to 0.5 indicates --> Readily Degradable A Probability Less Than 0.5 indicates --> NOT Readily Degradable 

## ------+-----+--------------------------------------------+---------+-------- TYPE I NUM I Biowin7 FRAGMENT DESCRIPTION COEFF VALUE 

## ------+-----+--------------------------------------------+---------+-------- Frag 2 Aliphatic alcohol [-OH] 0.1328 0.2655 Frag 3 Aliphatic chloride [-CL] -0.0147 -0.0440 Frag 1 Carbon with 4 single bonds & no hydrogens -0.3342 -0.3342 Frag 2 Aliphatic ether [C-0-C] -0.2573 -0.5145 Frag 4 -CH2- [linear] 0.0260 0.1040 Frag 

### I 1 -CH- [linear] -0.1659 -0.1659 Constl 

### * Equation Constant 0.8361 

## ============+============================================+=========+======== RESULT Biowin7 (Anaerobic Linear Biodeg Prob) 0.1470 

## ============+============================================+=========+========
A Probability Greater Than or Equal to 0.5 indicates --> Biodegrades Fast A Probability Less Than 0.5 indicates --> Does NOT Biodegrade Fast Ready Biodegradability Prediction: (YES or NO) Criteria for the YES or NO prediction: If the Biowin3 (ultimate survey model) result is "weeks" or faster (i.e. "days", "days to weeks", or "weeks" AND the Biowin5 (MITI linear model) probability is >= 0.5, then the prediction is YES (readily biodegradable). If this condition is not satisfied, the prediction is NO (not readily biodegradable). This method is based on application of Bayesian analysis to ready biodegradation data (see Help)

. Biowin5 and 6 also predict ready biodegradability, but for degradation in the OECD301C test only; using data from the Chemicals Evaluation and Research Institute Japan (CERIJ) database.

BioHCwin (v1.01) Program Results:

**======~=======================** 

# J

**~**--------------- ---------- BioHCwin v1.01 Results --------------------------
NO Estimate Possible

... Structure NOT a Hydrocarbon (Contains atoms other than C, H or S (-S-))



# -,........ :'

# r

[ lntertekExpert Services Toxicology and EnvironmentalAssessmentsGroup



### AEROWIN Program (v1.00) Results: 

## =============================== Sorption to aerosols (25 Dec C) [AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 3.44E-005 Pa (2.58E-007 mm Hg) Log Koa (Koawin est ): 12.036 Kp (particle/gas partition coef. (m3/ug)): Mackay model 0.0872

**Oct~-?1/air** 

### (Koa) model: 0.267

**~r3~cion** 

### sorbed to airborne particulates (phi): Junge-Pankow model 0.759 Mackay model 0.875

**Oc~anol/air** 

### (Koa) model: 0.955
AOP Program (v1.92) Results: 

## ===========================

------- -- -------SUMMARY (AOP v1.92): HYDROXYL RADICALS (25 deg C)
------ Hydrogen Abstraction 8.8959 E-12 cm3/molecule-sec Reaction with N, 

## s and -OH 0.2800 E-12 cm3/molecule-sec Addition to Triple Bonds 54.0000 E-12 cm3/molecule-sec Addition to Olefinic Bonds 

### = 0.0000 E-12 cm3/molecule-sec Addition to Aromatic Rings 0.0000 E-12 cm3/molecule-sec Addition to Fused Rings 0.0000 E-12 cm3/molecule-sec OVERALL OH Rate Constant 63.1759 E-12 cm3/molecule-sec HALF-LIFE= 0.169 Days (12-hr day; 1.5E6 OH/cm3) HALF-LIFE = 2.032 Hrs

------------------- SUMMARY (AOP v1.91): OZONE REACTION (25 deg C) --------- OVERALL OZONE Rate Constant 0.006000 E-17 cm3/molecule-sec HALF-LIFE = 191.000 Days (at 7E11 mol/cm3) Experimental Database: NO Structure Matches Fraction sorbed to airborne particulates (phi): 0.817 (Junge-Pankow, Mackay avg) 0.955 (Koa method) Note: the sorbed fraction may be resistant to atmospheric oxidation

KOCWIN Program (v2.00) Results:

**=======~===~==================**



### --------------------------- KOCWIN v2.00 Results
Koc Estimate from MCI: First Order Molecular Connectivity Index 8.019

# r IntertekExpert Services ToxicologyandEnvironmental Assessments Group Non-Corrected Log Koc (0.5213 MCI 

### + 0.60) Fragment Correction(s): 2 Aliphatic Alcohol (-C-OH)

. . . . . . . . . . . : -2.6358 2 Ether, aliphatic (-C-0-C-)
.......... : -1.7432 Corrected Log Koc ................................. . Over Correction Adjustment to Lower Limit Log Koc

... : Estimated Koc: 10 L/kg 

## <=========== Koc Estimate from Log Kow: Log Kow (Kowwin estimate) ........................ . Non-Corrected Log Koc (0.55313 1ogKow + 

### 0.9251) Fragment Correction(s): 2 Aliphatic Alcohol (-C-OH)
........... : -0.8229 2 Ether, aliphatic (-C-0-C-) . . . . . . . . . . : -0.1812 Corrected Log Koc ................................. . Estimated Koc: 1.723 L/kg 

## <===========

HYDROWIN Program (v2.00) Results: 

## ====================--=---- 

# ) 4.7803

0.4013 1.

### 0000

0.57 1.

### 2404

0.2363

HYDROWIN v2.00 Results ------------------------- Currently, this program can NOT estimate a hydrolysis rate constant for the type of chemical structure entered!! ONLY Esters, Carbamates, Epoxides, Halomethanes (containing 1-3 halogens), Specific Alkyl Halides 

### & Phosphorus Esters can be estimated!! When present, various hydrolyzable compound-types will be identified. For more information, (Click OVERVIEW in Help or see the User's Guide) 

### ***** CALCULATION NOT PERFORMED 

### *****

BCFBAF Program (v3.00) Results: 

## ==============================



# BCFBAF~.00 ----------------------------- Summary Results: Log BCF (regression-based estimate): Biotransformation Half-Life (days) : Log BAF (Arnot-Gobas upper trophic): 0.50 (BCF = 

### 3.16 L/kg wet-wt) 0.0243 (normalized to 10 g fish) 0.04 (BAF = 

### 1.09 L/kg wet-wt) Log Kow (experimental): not available from database Log Kow used by BCF estimates: 0.57lntertek Expert Services Toxicologyand Environmental Assessments Group 

### Equation Used to Make BCF estimate: Log BCF '=: 

### 0.50 Correction(s): Value Correction Factors Not Used for Log Kow < 1 Estimated Log BCF 

## = 0.500 (BCF 

## = 3.162 L/kg wet-wt)

**==========~================================================** 

### Whole Body Primary Biotransformation Rate Estimate for Fish: 

## =========================================================== ------+-----+--------------------------------------------+---------+-------- TYPE I 

### NUM I 

### LOG BIOTRANSFORMATION FRAGMENT DESCRIPTION I 

### COEFF VALUE 

## ------+-----+--------------------------------------------+---------+-------- Frag 2 Aliphatic alcohol [-OH] -0.0616 -0.1231 Frag 3 Aliphatic chloride [-CL] 0.3608 1.0823 Frag 1 Carbon with 4 single bonds & 

### no hydrogens -0.2984 -0.2984 Frag 2 Aliphatic ether [C-0-C] -0.0232 -0.0465 Frag 4 -CH2- [linear] 0.0242 0.0967 Frag 1 -CH- [linear] -0.1912 -0.1912 L Kowl 

### * Log Kow 

## = 0.57 (KowWin estimate) 0.3073 0.1755 MolWtl 

## * Molecular Weight Parameter -0.7733 Constl 

## * Equation Constant -1.5058 

## ============+============================================+=========+======== RESULT RESULT NOTE LOG Bio Half-Life (days) I 

### Bio Half-Life (days) 

### I Bio Half-Life Normalized to 10 g fish at 15 deg C -1.6151 0.02426 

## ============+============================================+=========+========
Biotransformation Rate Constant: kM (Rate Constant): 28.57 /day (10 gram fish) kM (Rate Constant): 16.07 /day (100 gram fish) kM (Rate Constant): 9.035 /day (1 kg fish) kM (Rate Constant): 5.081 /day (10 kg fish) Arnot-Gobas BCF & 

### BAF Methods (including biotransformation rate estimates): Estimated Log BCF (upper trophic) 0.036 (BCF 1.086 L/kg wet-wt) Estimated Log BAF (upper trophic) 0.036 (BAF 1.086 L/kg wet-wt) Estimated Log BCF (mid trophic) 0.042 (BCF 1.102 L/kg wet-wt) Estimated Log BAF (mid trophic) 0.042 (BAF 1.102 L/kg wet-wt) Estimated Log BCF (lower trophic) 0.041 (BCF 1.1 L/kg wet-wt) Estimated Log BAF (lower trophic) 0.041 (BAF 1.1 L/kg wet-wt) Arnot-Gobas BCF & 

### BAF Methods (assuming a biotransformation rate of zero): Estimated Log BCF (upper trophic) 0.111 (BCF 1.291 L/kg wet-wt) Estimated Log BAF (upper trophic) 

## = 0.113 (BAF 

## = 1.296 L/kg wet-wt)I \ 

# c [ntertekExpert Services ToxicologyandEnvironmentalAssessments Group Volatilization From Water 

## ========================= 

# )

Water Solubility Vapor Pressure Henry's Law Constant: 8.37E-014 atm-m3/mole (estimated by Bond SAR Method) RIVER LAKE Water Depth (meters): 1 5 1 Wind Velocity (m/sec): Current Velocity (m/sec):**HALF~LIFE** (hours) HALF-LIFE (days ) HALF-LIFE (years) 1.215E+010 5.061E+008 1.386E+006 1 0.5 0.05 1.325E+Oll 5.521E+009 1.512E+007
STP Fugacity Model: Predicted Fate in a Wastewater Treatment Facility 

## ====================================================================== (using Biowin/EPA draft method) PROPERTIES OF: Molecular weight (g/mol) Aqueous solubility (mg/1) Vapour pressure (Pa) (atm) (mm Hg) 0 0 Henry 's law constant (Atm-m3/mol) Air-water partition coefficient Octanol-water partition coefficient (Kow) Log Kow Biomass to water partition coefficient Temperature (deg C] 301.56 0 0
8.37E-014 3.42308E-012 3.71535 0.57 1.54307 25 Biodeg rate constants (hA-1),half life in biomass (h) and in 2000 mg/L MLSS (h): -Primary tank -Aeration tank -Settling tank 0.23 2.25 2.25 3.08 0.31 0.31 STP Overall Chemical Mass Balance: g/h mol/h percent Influent 1.00E+001 Primary sludge 2.58E-002 Waste sludge 1.40E-001 Primary volatilization 4.55E-011 Settling volatilization 1.16E-010 Aeration off gas 2.86E-010 Primary biodegradation 1.76E-002 Settling biodegradation 4.90E-002 Aeration biodegradation 6.47E-001 Final water effluent 9.12E+000 1000.00 100.00 100.00

3.3E-002 8.6E-005 4.7E-004 1.5E-013 3.8E-013 9.5E-013 5.8E-005 1.6E-004 2.1E-003 3.0E-002**~ ~rr-**  

### ··1· 100.00 0.26 1.40 0.00 0.00 0.00 0.18 0.49 6.47 91.20

I:lntertek Expert Services Toxicology andEnvironmental Assessments Group Total removal Total biodegradation 8.80E-001 7.14E-001
Level III Fugacity Model (Full-Output): Chern Name Molecular Wt: 301.56 2.9E-003 2.4E-003

Henry's LC Vapor Press Liquid VP Melting Pt Log Kow Soil Koc 8.37e-014 atm-m3/mole (Henrywin program) 1.12e-008 mm Hg (Mpbpwin program) 2.31e-007 mm Hg (super-cooled) 158 deg C (Mpbpwin program) 0.57 (Kowwin program) 10 (KOCWIN MCI method) Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 3.91e-006 4.06 Water 37 1.44e+003 Soil 62.9 2.88e+003 Sediment 0.0896 1.3e+004 Fugacity Reaction Advection (atm) (kg/hr) (kg/hr) Air 2.78e-017 0.0286 Water 2.2e-018 763 Soil 7.71e-017 650 Sediment 2.15e-018 0.206 Persistence Time: Reaction Time: Advection Time: Percent Reacted: 1.43e+003 hr 3.04e+003 hr 2.7e+003 hr 47.1 Percent Advected: 52.9 1000 1000 1000 0 Reaction (percent) 0.00168 1.59e+003 0 0.0769 Advection (percent) 0.000954 25.4 21.7 0.00685

Half-Lives (hr), (based upon Biowin (Ultimate) and Aopwin): Air: 4.06 Water: 1440 Soil: 2880 Sediment: 1.296e+004 Biowin estimate: 2.104 (months Advection Times (hr): Air: 100 Water: 1000 Sediment: 5e+004 8.80 7.14

5.59e-005 52.9 0 0.00256( \

__ 

### ATTACHMENT HEADER SHEET

Attachment Number006
Attachment Name AssessmentofToxicity and Chemical Characteristics


### Associated PMN Section Number N/A

Does notcontain CBI



### Report Number PROC110207243555108[ntertek ExpertServices ToxicologyandEnvironmental AssessmentsGroup



### Summary The TOXTREE model 1 

### indicatesthe material has no structural alertsfor mutagenicity and is unlikelyto be agenotoxicornon-genotoxiccarcinogen. The detailed outputof the model is provided inTable 1. Based on chemical analogs (National Libraryof Medicine) this compound is considered moderatelyto slightlytoxic in acute exposures. The environmental chemistryand ecotoxicityofthecompound was estimated withthe EPA EPIWIN model and the outputofthe model is provided in (Table 2). The compound is predicted to have high watersolubility

### (lx106 

### mg/L).The material has a lowcalculated octanol-water partition coefficient (Log Kow) of

### 0.07 and consequently it has a low potentialto bioaccumulate (calculated Log BCF

# = 0.500). The ECOSAR submodel predicted the material will have lowtoxicityto aquatic organisms. The compound is predicted to not biodegrade rapidly. Primary biodegradation is estimated to require days orweeks.
/ 

### Based on model results ·1 

### considered a PBT2

## subst~nce. I

# .-> is not

1 R. Benigni, R., C. Bossa, N. Jeliazkova, T. Netzeva and A. Worth. The Benigni

### I Bossa rulebase for mutagenicity and carcinogenicity- a moduleofToxtree. 2008. 68 pp. EUR- Scientific and Technical Research series- ISSN 1018-5593. 2 PBT =Persistence BioaccumulativeToxic[ntertek Expert Services ToxicologyandEnvironmental Assessments Group



### SAR Modeling3



### • Physical 

## I Chemical Properties Melting Point : Boiling Point : WaterSolubility: Log 

### Kow: 102.76 °C 308.65 °C 1,000,000 mg/l 0.07

• Biodegradation: Linear and non-linear models predictslow biodegradation. MITI linearand non-linear models also predictslow biodegradation.The results ofall the models are consistent and favorslow biodegradation.

• AquaticToxicity : LCso (96-hrfish) 

# = LCso (48-hr daphnid)

# = EC50 

### (96-hrgreen algae)

# = 7655 mg/ L 3500 mg/ L

684 mg/ l Neutral Organics Model Neutral Organics Model Neutral Organics Model

• Bioconcentration (BCF): log BCF

# = 0.500 (low potentialto bioaccumulate)

3 EPA EPIWIN Model, Syracuse Research CorporationlntertekExpert Services ToxicologyandEnvironmental Assessments Group



### Table l. 

### TOXTREEModel[ 

# l
QSAI.Acylhalides No QSA2.Alkyl (C<5) orbenzylesterofsulphonicorphosphonicacid No QSA3.N-methylol derivatives No QSA4.Monohaloalkene No QSA5.S orN mustard No QSA6.Propiolactonesandpropiosultones No QSA7.Epoxidesand aziridines No QSA8.AJiphatichalogens No QSA9.Alkylnitrite No QSAll.Simplealdehyde No QSA12.Quinones No QSAl3.Hydrazine No QSAl4.AJiphatic azoandazoxy No QSAl5.Isocyanateandisothiocyanate groups No QSAl6.AJkylcarbamate and thiocarbamate No QSA18.PolycyclicAromatic Hydrocarbons No QSA19.Heterocyclic Polycyclic Aromatic Hydrocarbons No QSA2l.Alkyland aryl N-nitroso groups No QSA22.Azideandtriazene groups No QSA23.AliphaticN-nitro No QSA24.a,l} unsaturated alkoxy No QSA25.Aromatic nitrosogroup No ("-- QSA26.AromaticringN-oxide No QSA27.Nitroaromatic No QSA28.Primaryaromatic amine,hydroxyl amine anditsderivedesters (with No restrictions) QSA28bis.Aromatic mono- anddialkylamine No QSA28ter.Aromatic N-acyl amine No QSA29.Aromatic diazo No QSA30.Coumarins andFurocoumarins No QAnyalert?.Atleastone alerttired? Noalerts forcarcinogenic activity QSAl7.Thiocarbonyl (Nongenotoxiccarcinogens) No QSA20.(Poly) HalogenatedCycloalkanes (Nongenotoxiccarcinogens) No QSA3la.Halogenatedbenzene (Nongenotoxiccarcinogens) No QSA3lb.HalogenatedPAH (naphthalenes,biphenyls, diphenyls) (Nongenotoxic No carcinogens) QSA3lc.Halogenateddibenzodioxins (Nongenotoxic carcinogens) No QNongenotoxicalert?.Atleastonealertfor nongenotoxic carcinogenicityfired? No alerts for carcinogenic activity QQSARl3 applicable?.a,l} unsaturated aldehyde No

**QSAlO.a.~** unsaturatedcarbonyls No QaN=Na.Aromatic diazo No Qar-N=CH2.Derived aromatic amines No QQSAR6,8 applicable?.Aromatic amine without sulfonic grouponthe same ring No

IIlntertekExpertServices ToxicologyandEnvironmental Assessments Group



### ------------------------------ EPI SUMMARY (v4.00)
--------------------- Physical Property Inputs: Log Kow (octanol-water): Boiling Point (deg C) Melting Point (deg C) Vapor Pressure (mm Hg) Water Solubility (mg/L): Henry LC (atm-m3/mole) KOWWIN Program (v1.67) Results: Log Kowiversion 1.67 estimate): 0.07



# ~**-------·-----·---------------------~--------------------+---------+--------** TYPE I 

### NUM I 

### LOGKOW FRAGMENT DESCRIPTION COEFF VALUE 

# -------+-----+--------------------------------------------+---------+-------- Frag 2 -CH2- [aliphatic carbon) 0.4911 0.9822 Frag 1 -CH [aliphatic carbon] 0.3614 0.3614 Frag 1 C [aliphatic carbon

- No H, not tert) 0.9723 0.9723 Frag 2 #C [acetylenic carbon) I 

### 0.1334 0.2668 Frag 2 -OH [hydroxy, aliphatic attach) 1-1.4086 -2.8172 Frag 1 -0- 

### [oxygen, aliphatic attach) 1-1.2566 -1.2566 Frag 3 -CL [chlorine,

**al~phatic** 

### attach) I 

### 0.3102 0.9306 Factorl 1 Multi-alcohol correction I 

### 0.4064 0.4064 Const I 

### Equation Constant I 

### 0.2290 

# -------+-----+--------------------------------------------+---------+-------- Log Kow 0.0749

MPBPVP (v1.43) Program Results:

IIlntertek Expert Services ToxicologyandEnvironmentalAssessments Group**=~=============================** 

### Experimental Database Structure Match: no data 

# J

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

-------------------- Boiling Point: Melting Point: Melting Point: Mean Melt Pt Selected MP: 308.65 deg C (Adapted Stein and Brown Method) 211.37 deg C (Adapted Joback Method)

66.56 deg C (Gold and Ogle Method) 138.96 deg C (Joback; Gold,Ogle Methods) 102.76 deg C (Weighted Value) Vapor Pressure Estimations (25 deg C): (Using BP: 308.65 deg C (estimated)) (Using MP: 102.76 deg C (estimated)) VP: 4.81E-006 mm Hg (Antoine Method) 0.000641 Pa (Antoine Method) VP: 7.19E-006 mm Hg (Modified Grain Method) 0.000958 Pa (Modified Grain Method) VP: 0.000399 mm Hg (Mackay Method) 0.0531 Pa (Mackay Method) Selected VP: 7.19E-006 mm Hg (Modified Grain Method) 0.000958 Pa (Modified Grain Method) Subcooled liquid VP: 4.12E-005 mm Hg (25 deg C, Mod-Grain method) 0.0055 Pa (25 deg C, Mod-Grain method) 

# -------+-----+--------------------+----------+--------- TYPE I 

### NOM I 

### BOIL DESCRIPTION COEFF VALUE 

# -------+-----+--------------------+----------+--------- Group 2 -CH2- 24.22 48.44 Group 1 >CH- 11.86 11.86 Group 1 >C< 4.50 4.50 Group 2 #C- 32.99 65.98 Group 1 -0- 

### (nonring) 25.16 25.16 Group 1 -OH (primary) 88.46 88.46 Group 1 -OH (secondary) 80.63 80.63 Group 3 -Cl (tertiary) 36.23 

### I 108.69 

### * I I 

### Equation Constant I 

### 198.18 

# =============+====================+==========+========= RESULT-uncorrl BOILING POINT in deg Kelvin 631.90 RESULT- corr I 

### BOILING POINT in deg Kelvin 581.81 I 

### BOILING POINT in deg C I 

### 308.65


# -------+-----+--------------------+----------+--------- TYPE I 

### NUM I 

### MELT DESCRIPTION COEFF VALUE 

# -------+-----+--------------------+----------+--------- Group 2 -CH2- 11.27 22.54 Group 1 >CH- 12.64 12.64 Group 1 >C< 46.43 46.43 Group 2 #C- 64.32 128.64 Group 1 -0- 

### (nonring) 22.23 22.23 Group 1 -OH (primary) 44.45 44.45 Group 1 -OH (secondary) 44.45 44.45 Group 3 -Cl (tertiary) 13.55 I 

### 40.65 

### * 1 I 

### Equation Constant I 

### 122.50lntertekExpert Services Toxicology andEnvironmentalAssessments Group 

# =============+====================+==========+========= RESULT I 

### MELTING POINT in deg Kelvin 484.53 I 

### MELTING POINT in deg C I 

### 211.37

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

## ======================================== Water Sol: 2.515e+004 mg/L 

# J



# ~**~---------------------------------** WSKOW vl.41 Results

----------------- Log Kow (estimated) 0.07 Log Kow (experimental): not available from database Log Kow used by Water solubility estimates: 0.07 Equation Used to Make Water Sol estimate: LogS (mol/L) 

## = 0.796- 0.854 log Kow- 0.00728 MW +Correction (used when Melting Point NOT available) Correction(s): Value No Applicable Correction Factors Log Water Solubility (in moles/L) -0.968 Water Solubility at 25 deg C (mg/L): 2.515e+004

WATERNT Program (vl.Ol) Results: 

## =============================== Water Sol (vl.Ol est): le+006 mg/L



# ~·**-------+-----+---------------------~--------------------+----------+-------** TYPE I 

### NUM I 

### WATER SOLUBILITY FRAGMENT DESCRIPTION COEFF VALUE 

# -------+-----+--------------------------------------------+----------+------- Frag 2 -CH2- [aliphatic carbon] 1-0.5370 -1.0740 Frag 1 -CH [aliphatic carbon] 1-0.5285 -0.5285 Frag 1 C [aliphatic carbon

- No H, not tert] 1-1.0516 -1.0516 Frag 2 oC [acetylenic carbon] 1-0.2829 -0.5659 Frag 2 -OH [hydroxy, aliphatic attach] I 

### 1.6012 3.2025 Frag 1 -0- 

### [oxygen, aliphatic attach] I 

### 1.2746 1.2746 Frag 3 -CL [chlorine, aliphatic attach] 1-0.2872 -0.8616 Canst Equation Constant I 

### 0.2492 

# -------+-----+--------------------------------------------+----------+------- NOTE Maximum Solubility (1,000,000 mg/L) Applied! 

# -------+-----+--------------------------------------------+----------+------- Log Water Sol (moles/L) at 25 dec C 0.6318 Water Solubility (mg/L) at 25 dec C le+006

# [ 

# [ fntertek Expert Services Toxicology andEnvironmentalAssessmentsGroup

ECOSAR Program (vl.OO) Results: 

# l
ChemiDl: ChemiD2: ChemTn1: 

# J Me.Lt: I:"L: Wat Sol: 2.515E+004 mg/L (WskowWin estimate) ECOSAR vl.OO Class(es) Found Propargyl Alcohols Propargyl Ethers Halo Ethers Halo ·Alcohols Predicted ECOSAR Class Organism Duration End Pt (ppm) 

## =========================== ================== ======== ====== Propargyl Alcohols Propargyl Alcohols Propargyl Alcohols Propargyl Alcohols Propargyl Alcohols Propargyl Alcohols Propargyl Ethers Propargyl Ethers Propargyl Ethers Propargyl Ethers Propargyl Ethers Propargyl Ethers Halo Ethers Halo Ethers Halo Ethers Halo Ethers Halo Alcohols Halo Alcohols Halo Alcohols Halo Alcohols 

### =========================== Neutral Organic SAR 7655.418 (Baseline Toxicity) 3500.267 Green Algae Fish Daphnid Green Algae 96-hr Fish Daphnid Green Algae Fish Daphnid Green Algae Fish Daphnid Green Algae Fish Daphnid Green Algae Fish Daphnid Fish Daphnid Fish Green Algae Fish Green Algae
Fish Daphnid EC50 ChV ChV ChV 684.933 758.315 230.014 174.417 96-hr 48-hr 96-hr

96-hr 48-hr 96-hr 21-day
96-hr 48-hr

96-hr 96-hr

96-hr 48-hr LC50 LC50 EC50 ChV ChV ChV LC50 LC50 EC50 ChV ChV ChV LC50 LC50 ChV ChV LC50 EC50 ChV ChV
LC50 LC50 mg/L
26.177 30.554 684.933

23.188

2.461 91.496 552.442 16926.512

1743.675 53.951

6.655 446.457 838.767 173.222

81.901 15.240 356.171 0.104 107.493 0.069IntertekExpertServices ToxicologyandEnvironmentalAssessmentsGroup Note: 

### * = asterisk designates: Chemical may not be soluble enough to measure this predicted effect. Note: ! 

## = exclamation designates: The toxicity value was determined from a predicted SAR using established acute-to-chronic ratios and ECOSAR regression techniques which are documented in the supporting Technical Reference Manual. When possible, this toxicity value should be considered in a weight of evidence approach. Propargyl Alcohols: For Fish and Daphnid Acute Toxicity Values: If the log Kow of the chemical is greater than 5.0, or if the compound is solid and the LC50 exceeds the water solubility by lOX, no effects at saturation are predicted for these endpoints. For Green Algae Acute Toxicity Values: If the log Kow of the chemical is greater than 6.4, or if the compound is solid and the EC50 exceeds the water solubility by lOX, no effects at saturation are predicted for these endpoints. For All Chronic Toxicity Values: If the log Kow of the chemical is greater than 8.0, or if the compound is solid and the ChV exceeds the water solubility by lOX, no effects at saturation are predicted for these endpoints. ECOSAR vl.OO SAR Limitations: Maximum LogKow: 5.0 (LC50) Maximum LogKow: 6.4 (EC50) Maximum LogKow: 8.0 (ChV) Maximum Mol Wt: 1000 Propargyl Ethers: For Fish and Daphnid Acute Toxicity Values: If the log Kow of the chemical is greater than 5.0, or if the compound is solid and the LC50 exceeds the water solubility by lOX, no effects at saturation are predicted for these endpoints. For Green Algae Acute Toxicity Values: If the log Kow of the chemical is greater than 6.4, or if the compound is solid and the EC50 exceeds the water solubility by lOX, no effects at saturation are predicted for these endpoints. For All Chronic Toxicity Values: If the log Kow of the chemical is greater than 8.0, or if the compound is solid and the ChV exceeds the water solubility by lOX, no effects at saturation are predicted for these endpoints.



### I[ntertekExpertServices ToxicologyandEnvironmentalAssessments Group ECOSAR vl.OO SAR Limitations: Maximum LogKow: 5.0 (LC50) Maximum LogKow: 6.4 (EC50) Maximum LogKow: 8.0 (ChV) Maximum Mol Wt: 1000 Halo Ethers For Fish and Daphnid Acute Toxicity Values: If the log Kow of the chemical is greater than 5.0, or if the compound is solid and the LC50 exceeds the water solubility by lOX, no effects at saturation are predicted for these endpoints. For Green Algae Acute Toxicity Values: If the log Kow of the chemical is greater than 6.4, or if the compound is solid and the EC50 exceeds the water solubility by lOX, no effects at saturation are predicted for these endpoints. For All Chronic Toxicity Values: If the log Kow of the chemical is greater than 8.0, or if the compound is solid and the ChV exceeds the water solubility by lOX, no effects at saturation are predicted for these endpoints. ECOSAR vl.OO SAR Limitations: Maximum LogKow: 5.0 (LC50) Maximum LogKow: 6.4 (EC50) Maximum LogKow: 8.0 (ChV) Maximum Mol Wt: 1000 Halo Alcohols : For Fish and Daphnid Acute Toxicity Values: If the log Kow of the chemical is greater than 5.0, or if the compound is solid and the LC50 exceeds the water solubility by lOX, no effects at saturation are predicted for these endpoints. For Green Algae Acute Toxicity Values: If the log Kow of the chemical is greater than 6.4, or if the compound is solid and the EC50 exceeds the water solubility by lOX, no effects at saturation are predicted for these endpoints. For All Chronic Toxicity Values: If the log Kow of the chemical is greater than 8.0, or if the compound is solid and the ChV exceeds the water solubility by lOX, no effects at saturation are predicted for these endpoints. ECOSAR vl.OO SAR Limitations: Maximum LogKow: 5.0 (LC50)lntertekExpert Services ToxicologyandEnvironmental Assessments Group 

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

HENRYWIN (v3.20) Program Results:
Bond Est : 9.77E-012 atm-m3/mole (9.90E-007 Pa-m3/mole) Group Est: Incomplete 

# l

HENRYWIN v3.20 Results

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

# ----------+---------------------------------------------+---------+----- CLASS BOND CONTRIBUTION DESCRIPTION I 

### COMMENT I 

### VALUE 

# ----------+---------------------------------------------+---------+---------- HYDROGEN I 

### 5 Hydrogen to Carbon (aliphatic) Bonds -0.5984 HYDROGEN I 

### 2 Hydrogen to Oxygen Bonds 6.4635 FRAGMENT I 

### 1 C-C 0.1163 FRAGMENT I 

### 4 C-0 4.3419 FRAGMENT 

### I 2 C-Ct 1.0750 FRAGMENT I 

### 3 C-CL 1.0004 FRAGMENT I 

### 1 CifC 0.0000 FACTOR 

### I 1 Additional aliphatic alcohol -OH(s) -3.0000 

# ----------+---------------------------------------------+---------+---------- RESULT I 

### BOND ESTIMATION METHOD for LWAPC VALUE I 

### TOTAL I 

### 9.399 

# ----------+---------------------------------------------+---------+---------- HENRYs LAW CONSTANT at 25 deg C 

## = 9.77E-012 atm-m3/mole 3.99E-010 unitless 

## = 9.90E-007 Pa-m3/mole 

# --------+-----------------------------------------------+------------+-------- 1 

### GROUP CONTRIBUTION DESCRIPTION I 

### COMMENT VALUE 

# --------+-----------------------------------------------+------------+-------- 1 CH (C) (0) (0) -1.35 1 C (C) (CL) (CL) (CL) 0. 80 2 Ct (C) 1.92 2 0-H (C) 8.90 1 0 (C) (C) 2.93 MISSING Value for: CH2 (Ct) (0) MISSING Value for: CH2 (0) (Ct) 

# --------+-----------------------------------------------+------------+-------- RESULT I 

### GROUP ESTIMATION METHOD for LOG GAMMA VALUE I 

### INCOMPLETE I 

### 13.20 

# --------+-----------------------------------------------+------------+--------
For Henry LC Comparison Purposes: Exper Database: none available



### I'IntertekExpert Services Toxicology and EnvironmentalAssessments Group 

### User-Entered Henry LC: not entered Henrys LC [via VP/WSol estimate using User-Entered or Estimated values): HLC: 8.783E-011 atm-m3/mole (8.899E-006 Pa-m3/mole) VP: 7.19E-006 mm Hg (source: MPBPVP) WS: 2.52E+004 mg/1 (source: WSKOWWIN)
Log Octanol-Air (KOAWIN vl.lO) Results: 

## ====================================== Log Koa: 9.469 

# r,

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


# [ Log Koa (octanol/air) estimate: 9.469 Koa (octanol/air) estimate: 2.941e+009 Using: Log Kow: HenryLC: Log Kaw: LogKow LogKow Henry LC: Henry LC: 0.07 (KowWin est) 9.77e-012 atm-m3/mole (HenryWin est) -9.399 (air/water part.coef.) (exp database) 0.07 (KowWin estimate)

--- atm-m3/mole(exp database) 9.77e-012 atm-m3/mole (HenryWin bond estimate) Log Koa (octanol/air) estimate: 9.469 (from KowWin/HenryWin)

BIOWIN (v4.10) Program Results: 

## ============================== 

# l

--------------------·------ BIOWIN v4.10 Results ----------------------- Biowinl (Linear Model Prediction) Does Not Biodegrade

**~ast** 

### Biowin2 (Non-Linear Model Prediction): Does Not Biodegrade Fast Biowin3 (Ultimate Biodegradation Timeframe): Weeks-Months Biowin4 (Primary Biodegradation Timeframe): Days-Weeks Biowin5 (MITI Linear Model Prediction) Does Not Biodegrade Fast Biowin6 (MITI Non-Linear Model Prediction) : Does Not Biodegrade Fast Biowin7 (Anaerobic Model Prediction): Does Not Biodegrade Fast Ready Biodegradability Prediction: NO ------+-----+--------------------------------------------+---------+--------- TYPE I 

### NUM I 

### Biowinl FRAGMENT DESCRIPTION COEFF VALUE ------+-----+--------------------------------------------+---------+--------- Frag 2 Aliphatic alcohol [-OH) I 

### 0.1587 I 

### 0.3175 Frag 1 

### 3 Aliphatic chloride (-CL] I 

### -0.1114 I 

### -0.3342(_ 

### lntertekExpert Services Toxicology andEnvironmental Assessments Group Frag I 

### Frag I 

### MolWtl Constl 1 1 

### * * Carbon with 4 single bonds 

### & no hydrogens Aliphatic ether [C-0-C) Molecular Weight Parameter Equation Constant -0.1839 -0.1839 -0.3474 -0.3474 -0.1112

0.7475 

## ============+============================================+=========+========= RESULT Biowinl (Linear Biodeg Probability) 0.0884 

## ============+============================================+=========+========= ------+-----+--------------------------------------------+---------+--------- TYPE I 

### NUM I 

### Biowin2 FRAGMENT DESCRIPTION COEFF VALUE 

## ------+-----+--------------------------------------------+---------+--------- Frag 1 

### 2 Aliphatic alcohol [-OH) 1.1178 2.2356 Frag I 

### 3 Aliphatic chloride [-CL) -1.8528 -5.5584 Frag I 

### 1 Carbon with 4 single bonds 

### & no hydrogens -1.7232 -1.7232 Frag I 

### 1 Aliphatic ether [C-0-C] -3.4294 -3.4294 MolWtl 

### * Molecular Weight Parameter -3.3154

**======~=====+======================~=====================+=========+=========** 

### RESULT Biowin2 (Non-Linear Biodeg Probability) 0.0002

**============+======================~=====================+=========+=========** 

### A Probability Greater Than or Equal to 0.5 indicates --> Biodegrades Fast A Probability Less Than 0.5 indicates --> Does NOT Biodegrade Fast 

## ------+-----+--------------------------------------------+---------+--------- TYPE I 

### NUM I 

### Biowin3 FRAGMENT DESCRIPTION COEFF VALUE 

## ------+-----+--------------------------------------------+---------+--------- Frag I 

### 2 I 

### Aliphatic alcohol [-OH) I 

### 0.1600 I 

### 0.3199 Frag I 

### 3 I 

### Aliphatic chloride [-CL) I 

### -0.1732 I 

### -0.5195 Frag I 

### 1 I 

### Carbon with 4 single bonds 

### & no hydrogens I 

### -0.2121 I 

### -0.2121 Frag I 

### 1 I 

### Aliphatic ether [C-0-C) I 

### -0.0087 I 

### -0.0087 MolWtl 

### * I 

### Molecular Weight Parameter I I 

### -0.5160 Constl 

### * I 

### Equation Constant I I 

### 3.1992 

## ============+============================================+=========+========= RESULT Biowin3 (Survey Model

- Ultimate Biodeg) 2.2628 

## ============+============================================+=========+========= ------+-----+--------------------------------------------+---------+--------- TYPE 

### I NUM 

### I Biowin4 FRAGMENT DESCRIPTION COEFF VALUE 

## ------+-----+--------------------------------------------+---------+--------- Frag I 

### 2 Aliphatic alcohol [-OH] 0.1294 0.2589 Frag 1 

### 3 Aliphatic chloride [-CL] -0.1006 -0.3018 Frag I 

### 1 Carbon with 4 single bonds & 

### no hydrogens -0.1534 -0.1534 Frag I 

### 1 Aliphatic ether [C-0-C) -0.0097 -0.0097 MolWtl 

### * Molecular Weight Parameter -0.3369 Constl 

### * Equation Constant 3.8477 

## ============+============================================+=========+========= RESULT Biowin4 (Survey Model

- Primary Biodeg) 3.3048 

## ============+============================================+=========+========= Result Classification: 5.00 -> hours (Primary & 

### Ultimate) 2.00 ->months 4.00 -> days 1.00 -> longer 3.00 -> weeks


## ------+-----+--------------------------------------------+---------+--------- TYPE I 

### NUM I 

### Biowin5 FRAGMENT DESCRIPTION COEFF VALUE 

## ------+-----+--------------------------------------------+---------+--------- Frag 2 Aliphatic alcohol [-OH) 0.1611 0.3223 Frag 3 Aliphatic chloride [-CL] 0.0011 0.0033 Frag 1 Carbon with 4 single bonds & 

### no hydrogens 0.0676 0.0676 Frag 1 Aliphatic ether [C-0-C] 0.0015 0.0015 Frag 2 -CH2- [linear] 0.0494 0.0988 Frag 1 -CH- [linear] -0.0507 -0.0507IntertekExpert Services ToxicologyandEnvironmentalAssessments Group 

### MolWtl Constl 

### * * Molecular Weight Parameter Equation Constant I -0.6946 I 0.7121 

## ============+============================================+=========+========= RESULT Biowin5 (MITI Linear Biodeg Probability) 0.4603 

## ============+============================================+=========+========= ------+-----+--------------------------------------------+---------+--------- TYPE I NUM I Biowin6 FRAGMENT DESCRIPTION COEFF VALUE 

## ------+-----+--------------------------------------------+---------+--------- Frag 2 Aliphatic alcohol [-OH] 1.0041 2.0083 Frag 3 Aliphatic chloride [-CL] -0.6391 -1.9174 Frag 1 Carbon with 4 single bonds & 

### no hydrogens 0.3990 0.3990 Frag 1 Aliphatic ether [C-0-C] -0.1071 -0.1071 Frag 2 -CH2- [linear] 0.4295 0.8590 Frag 1 

### 1 -CH- [linear] -0.0998 -0.0998 MolWtl 

### * Molecular Weight Parameter -6.7403 

## ============+============================================+=========+========= RESULT IBiowin6 (MITI Non-Linear Biodeg Probability) I 0.0442 

## ============+============================================+=========+========= A Probability Greater Than or Equal to 0.5 indicates --> 

### Readily Degradable A Probability Less Than 0.5 indicates --> 

### NOT Readily Degradable 

## ------+-----+--------------------------------------------+---------+--------- TYPE I NUM I Biowin7 FRAGMENT DESCRIPTION I COEFF I VALUE 

## ------+-----+--------------------------------------------+---------+--------- Frag 2 Aliphatic alcohol [-OH] 0.1328 0.2655 Frag 3 Aliphatic chloride [-CL] -0.0147 -0.0440 Frag 1 Carbon with 4 single bonds & 

### no hydrogens -0.3342 -0.3342 Frag 1 Aliphatic ether [C-0-C] -0.2573 -0.2573 Frag I 2 -CH2- [linear] 0.0260 0.0520 Frag I 1 0.1659 Constl 0.8361 

### * -CH- [linear] -0.1659 I

- Equation Constant 

## ============+============================================+=========+==== RESULT Biowin7 (Anaerobic Linear Biodeg Prob) 0.3523 

## ============+============================================+=========+==== A Probability Greater Than or Equal to 0.5 indicates --> 

### Biodegrades Fast A Probability Less Than 0.5 indicates --> 

### Does NOT Biodegrade Fast Ready Biodegradability Prediction: (YES or NO) Criteria for the YES or NO prediction: If the Biowin3 (ultimate survey model) result is "weeks" or faster (i.e. "days", "days to weeks", or "weeks" AND the Biowin5 (MITI linear model) probability is >= 

### 0.5, then the prediction is YES (readily biodegradable). If this condition is not satisfied, the prediction is NO (not readily biodegradable). This method is based on application of Bayesian analysis to ready biodegradation data (see Help). Biowin5 and 6 also predict ready biodegradability, but for degradation in the OECD301C test only; using data from the Chemicals Evaluation and Research Institute Japan (CERIJ) database.



### I·- ...- ,

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# [ Intertek Expert Services Toxicology and Environmental AssessmentsGroup



### BioHCwin (v1.01) Program Results:

# l

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

---------------------- NO Estimate Possible

... Structure NOT a Hydrocarbon (Contains atoms other than C, H or S (-S-))

AEROWIN Program (v1.00) Results: 

## =============================== Sorption to aerosols (25 Dec C) [AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.00549 Pa (4.12E-005 mm Hg) Log Koa (Koawin est ): 9.469 Kp (particle/gas partition coef. (m3/ug)): Mackay model 0.000546 Octanol/air (Koa) model: 0.000723 Fraction sorbed to airborne particulates (phi): Junge-Pankow model 0.0193 Mackay model 0.0419 Octanol/air (Koa) model: 0.0547
AOP Program (v1.92) Results:

Hydrogen Abstraction Reaction with N, S and -OH Addition to Triple Bonds Addition to Olefinic Bonds Addition to Aromatic Rings Addition to Fused Rings 

# J
(AOP v1.92): HYDROXYL RADICALS (25 deg C)

-- 7.0609 E-12 cm3/molecule-sec 0.2800 E-12 cm3/molecule-sec 27.0000 E-12 cm3/molecule-sec

0.0000 E-12 cm3/molecule-sec 0.0000 E-12 cm3/molecule-sec 0.0000 E-12 cm3/molecule-sec OVERALL OH Rate Constant 34.3409 E-12 cm3/molecule-sec HALF-LIFE = 0.311 Days (12-hr day; 1.5E6 OH/cm3) HALF-LIFE= 3.738 Hrs -------------------SUMMARY (AOP v1.91): OZONE REACTION (25 deg C) OVERALL OZONE Rate Constant 0.003000 E-17 cm3/molecule-sec HALF-LIFE = 382.000 Days (at 7E11 mol/cm3) Experimental Database: NO Structure Matches Fraction sorbed to airborne particulates (phi): 0.0306**(Junge~Pankow,** 

### Mackay avg) 0.0547 (Koa method) Note: the sorbed fraction may be resistant to atmospheric oxidationIntertekExpert Services Toxicology and EnvironmentalAssessments Group 

### KOCWIN Program (v2.00) Results: 

## ==============================

# ~--------------------------- KOCWIN v2.00 Results



# [ Koc Estimate from MCI: First Order Molecular Connectivity Index ...•....... Non-Corrected Log Koc (0.5213 MCI + 

### 0.60) Fragment Correction(s): 2 Aliphatic Alcohol (-C-OH) .........•. : -2.6358 1 Ether, aliphatic (-C-0-C-)

.......... : -0.8716 Corrected Log Koc

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

... : Estimated Koc: 10 L/kg Koc Estimate from Log Kow: Log Kow (Kowwin estimate)

........................ . Non-Corrected Log Koc (0.55313 1ogKow + 

### 0.9251) Fragment Correction(s): 2 Aliphatic Alcohol (-C-OH)

........... : -0.8229 1 Ether, aliphatic (-C-0-C-)

.......... : -0.0906 Corrected Log Koc ..............•................... Estimated Koc: 1.123 L/kg

HYDROWIN Program (v2.00) Results:**·~===~~=~===================~~==** 

# l 5.481 3.4572

-0.0502

1.

### 0000

0.07 0.9638

0.0503

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

--------------------- Currently, this program can NOT estimate a hydrolysis rate constant for the type of chemical structure entered!! ONLY Esters, Carbamates, Epoxides, Halomethanes (containing 1-3 halogens), Specific Alkyl Halides & 

### Phosphorus Esters can be estimated!! When present, various hydrolyzable compound-types will be identified. For more information, (Click OVERVIEW in Help or see the User's Guide) 

### ***** CALCULATION NOT PERFORMED 

### *****

BCFBAF Program (v3.00) Results:

### '· 

# [ [ntertekExpert Services ToxicologyandEnvironmental Assessments Group

·

**.lr~s** 

# l

BCFBAF v3.00 ------------------------- Summary Results: Log BCF (regression-based estimate): Biotransformation Half-Life (days) : Log BAF (Arnot-Gobas upper trophic): 0.50 (BCF 

## = 3.16 L/kg wet-wt) 0.0241 (normalized to 10 g fish) -0.02 (BAF 

## = 0.955 L/kg wet-wt) Log Kow (experimental): not available from database Log Kow used by BCF estimates: 0.07 Equation Used to Make BCF estimate: Log BCF =- 

### 0.50 Correction(s): Value Correction Factors Not Used for Log Kow 

### < 1 Estimated Log BCF =- 

### 0.500 (BCF 

## = 3.162 L/kg wet-wt) 

## =========================================================== Whole Body Primary Biotransformation Rate Estimate for Fish: 

## =========================================================== 

# ------+-----+--------------------------------------------+---------+--------- TYPE I 

### NUM I 

### LOG BIOTRANSFORMATION FRAGMENT DESCRIPTION I 

### COEFF VALUE 

# ------+-----+--------------------------------------------+---------+--------- Frag 2 Aliphatic alcohol [-OH] -0.0616 -0.1231 Frag 3 Aliphatic chloride [-CL] 0.3608 1.0823 Frag 1 Carbon with 4 single bonds & 

### no hydrogens -0.2984 -0.2984 Frag 1 Aliphatic ether [C-0-C] -0.0232 -0.0232 Frag 2 -CH2- [linear] 0.0242 0.0484 Frag 1 -CH- [linear] -0.1912 -0.1912 L Kowl 

### * Log Kow = 

### 0.07 (KowWin estimate) 0.3073 0.0230 MolWtl 

### * Molecular Weight Parameter -0.5987 Constl 

### * Equation Constant -1.5058 

## ============+============================================+=========+========= RESULT LOG Bio Half-Life (days) I I 

### -1.6181 RESULT Bio Half-Life (days) I I 

### 0.02409 NOTE Bio Half-Life Normalized to 10 g fish at 15 deg C 1 

## ============+============================================+=========+========= Biotransformation Rate Constant: kM (Rate Constant): 28.77 /day (10 gram fish) kM (Rate Constant): 16.18 /day (100 gram fish) kM (Rate Constant): 9.098 /day (1 kg fish) kM (Rate Constant): 5.116 /day (10 kg fish) Arnot-Gobas BCF 

### & BAF Methods (including biotransformation estimates): Estimated Log BCF (upper trophic) -0.020 (BCF 0.955 Estimated Log BAF (upper trophic) -0.020 (BAF 0.955 Estimated Log BCF (mid trophic) -0.006 (BCF 0.9862 Estimated Log BAF (mid trophic) -0.006 (BAF 0.9862 Estimated Log BCF (lower trophic) -0.004 (BCF 0.9914 Estimated Log BAF (lower trophic) -0.004 (BAF 0.9914 rate L/kg wet-wt) L/kg wet-wt)

L/kg wet-wt) L/kg wet-wt) L/kg wet-wt) L/kg wet-wt) Arnot-Gobas BCF 

### & BAF Methods (assuming a biotransformation rate of zero):

## (

( 

### \ IntertekExpert Services ToxicologyandEnvironmental Assessments Group Estimated Log BCF (upper trophic) Estimated Log BAF (upper trophic) 0.009 (BCF 0.009 (BAF 1.02 L/kg wet-wt) 1.022 L/kg wet-wt)

Volatilization From Water
Chemical Name: Molecular Weight 233.48 g/mole Water Solubility Vapor Pressure Henry's Law Constant: 9.77E-012 atm-m3/mole (estimated by Bond SAR Method) RIVER LAKE Water Depth (meters): 1 5 1 Wind Velocity (m/sec): Current Velocity (m/sec): HALF-LIFE (hours) HALF-LIFE (days ) HALF-LIFE (years) 9.157E+007 3.815E+006 1.045E+004 1 0.5 0.05 9.989E+008 4.162E+007 1.14E+005
STP Fugacity Model: Predicted Fate in a Wastewater Treatment Facility (using Biowin/EPA draft method) PROPERTIES OF: Molecular weight (g/mol) Aqueous solubility (mg/1) Vapour pressure (Pa) (atm) (mm Hg) 0 0 Henry 's law constant (Atm-m3/mol) Air-water partition coefficient Octanol-water partition coefficient (Kow) Log Kow Biomass to water partition coefficient Temperature [deg C) 233.48 0 0
9.77E-012 3.99564E-010 1.1749 0.07 1.03498 25 Biodeg rate constants (hA-l),half life in biomass (h) and in 2000 mg/L MLSS (h): -Primary tank -Aeration tank -Settling tank 1.12 11.18 11.18 0.62 0.06 0.06 STP Overall Chemical Mass Balance: g/h Influent Primary sludge Waste sludge mol/h

Primary volatilization Settling volatilization percent l.OOE+OOl 2.51E-002 1.20E-001 5.30E-009 1.15E-008 300.00 30.00 30.00

4.3E-002 l.lE-004 5.1E-004 2.3E-011 4.9E-011 100.00 0.25 1.20 0.00 0.00

# c

c IntertekExpert Services Toxicologyand Environmental Assessments Group Aeration off gas 2.87E-008 Primary biodegradation 5.83E-002 Settling biodegradation 1.40E-001 Aeration biodegradation 1.86E+000 Final water effluent 7.80E+000 Total removal 2.20E+000 Total biodegradation 2.05E+000
Level III Fugacity Model (Full-Output): Chern Name Molecular Wt: 233.48 1.2E-010 2.5E-004 6.0E-004 7.9E-003 3.3E-002 9.4E-003 8.8E-003

Henry's LC Vapor Press Liquid VP Melting Pt Log Kow Soil Koc 9.77e-012 atm-m3/mole (Henrywin program) 7.19e-006 mm Hg (Mpbpwin program) 4.22e-005 mm Hg (super-cooled) 103 deg C (Mpbpwin program) 0.07 (Kowwin program) 10 (KOCWIN MCI method) Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.000118 7.47 Water 35 900 Soil 64.9 1.8e+003 Sediment 0.0835 8.1e+003 Fugacity Reaction Advection (atm) (kg/hr) (kg/hr) Air 4.18e-015 0.379 Water 2.53e-016 930 Soil 9.64e-015 862 Sediment 2.43e-016 0.247 Persistence Time: Reaction Time: Advection Time: Percent Reacted: 1.15e+003 hr 1.92e+003 hr 2.86e+003 hr 59.8 Percent Advected: 40.2 1000 1000 1000 0 Reaction (percent) 0.0408 1.21e+003 0 0.0576 Advection (percent) 0.0126 31 28.7 0.00822

Half-Lives (hr), (based upon Biowin (Ultimate) and Aopwin): Air: 7.47 Water: 900 Soil: 1800 Sediment: 8100 Biowin estimate: 2.263 (weeks-months) Advection Times (hr): Air: 100 Water: 1000 Sediment: 5e+004 0.00 0.58 1.40 18.56 78.02 21.98 20.54

0.00136 40.2 0 0.00192