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SUPPLEMENTAL DATA PERFLUOROALKYL AND POLYFLUOROALKYL SUBSTANCES IN THE ENVIRONMENT: TERMINOLOGY, CLASSIFICATION, AND ORIGINS Robert C. Buckt, James Franklin*I, Urs Berger, Jason M. ConderI I, Ian T. Cousins, Pim de Voogt#, Allan Astrup Jensenif, Kurunthachalam Kannann, Scott A. Mabury, and Stefan P. J. van LeeuwenI III tE.I. du Pont de Nemours & Co. Inc., DuPont Chemicals and Fluoroproducts, 4417 Lancaster Pike, CRP 702-2211B, Wilmington, DE 19880-0702 USA uSA.d it.com) 1CLF-Chem Consulting SPRL, 3 Clos du Chataignier, BE-1390 Grez-Doiceau, Belgium ( .@.=Ac et.be) Department of Applied Environmental Science (ITM), Stockholm University, Svante Arrhenius vag 8, SE-10691 Stockholm, Sweden ( .@,itm.su.se; (&,itm.su.se) IIENVIRON International Corporation, 18100 Von Karman Avenue, Suite 600, Irvine, CA 92612, USA ( (a environcorp.com) #Institute for Biodiversity and Ecosystem Dynamics, University of Amsterdam, PO Box 94248, NL-1090 GE Amsterdam, The Netherlands @tii i1) ft Nordic Institute for Product Sustainability, Environmental Chemistry and Toxicology (NIPSECT), 1 Dalgas Boulevard, DK-2000 Frederiksberg, Denmark mail.com) ITWadsworth Center, New York State Department of Health, and Department of Environmental Health Sciences, School of Public Health, State University of New York at Albany, Empire State Plaza, P.O. Box 509, Albany, NY 12201-0509, USA ( .@,wadsworth.org) Depaitiuent of Chemistry, University of Toronto, 80 St. George Street, Toronto, Ontario MSS 3H6, Canada ( (a,chem.utoronto.ca) IIIIRIKILT - Institute of Food Safety, PO Box 230, 6700 AE Wageningen, The Netherlands ( @WUR.nl) *To whom correspondence may be addressed: 24-69-98 .i)sly(net.be, Phone/Fax +32-10- Table of Contents PART 1 - FAMILIES OF SUBSTANCES (NON-POLYMERS) ............................................................................... 4 PART 2 - SELECTED INDIVIDUAL COMPOUNDS (NON-POLYMERS) .............................................................. 7 Perfluoroalkyl carboxylic acids (and selected salts) ..................................................................................7 Perfluoroalkyl carboxylate anions .............................................................................................................8 Perfluoroalkane sulfonic acids (and selected anions and salts) ..............................................................10 Perfluoroalkane sulfinic acids ..................................................................................................................11 Perfluoroalkyl phosphonic acids ............................................................................................................. 12 Perfluoroalkyl phosphinic acids ...............................................................................................................12 Perfluoroalkyl iodides ..............................................................................................................................12 (n:2) Fluorotelomer iodides .................................................................................................................... 13 (n:2) Fluorotelomer olefins ..................................................................................................................... 13 (n:2) Fluorotelomer alcohols ...................................................................................................................14 (n:2) Fluorotelomer acrylates ..................................................................................................................14 (n:2) Fluorotelomer methacrylates ......................................................................................................... 15 Polyfluoroalkyl phosphoric acid monoesters .......................................................................................... 16 Polyfluoroalkyl phosphoric acid diesters ................................................................................................ 16 Semifluorinated n-alkanes ...................................................................................................................... 17 Semifluorinated n-alkenes ...................................................................................................................... 17 (n:2) Fluorotelomer (saturated) aldehydes .............................................................................................18 (n:2) Fluorotelomer unsaturated aldehydes ...........................................................................................18 Perfluoroalkyl aldehydes .........................................................................................................................19 Perfluoroalkyl aldehyde hydrates ........................................................................................................... 19 (n:2) Fluorotelomer (saturated) carboxylic acids ....................................................................................20 (n:2) Fluorotelomer unsaturated carboxylic acids .................................................................................. 20 2 Other biotransformation products of n:2 FTOHs ....................................................................................21 (n:2) Fluorotelomer sulfonic acids .......................................................................................................... 21 (n:2) Fluorotelomer sulfonate anions ..................................................................................................... 22 Perfluoroalkane sulfonyl fluorides .......................................................................................................... 22 Perfluoroalkane sulfonamides ................................................................................................................ 23 N-Methyl perfluoroalkane sulfonamides ................................................................................................ 23 N-Ethyl perfluoroalkane sulfonamides ....................................................................................................23 N,N-Dialkyl perfluoroalkane sulfonamides ............................................................................................. 24 Perfluoroalkane sulfonamido ethanols ...................................................................................................24 Perfluoroalkane sulfonamidoacetic acids ............................................................................................... 25 N-Methyl perfluoroalkane sulfonamidoethanols ................................................................................... 25 N-Ethyl perfluoroalkane sulfonamidoethanols ....................................................................................... 26 N-Methyl perfluoroalkane sulfonamidoacetic acids and salts ................................................................26 N-Ethyl perfluoroalkane sulfonamidoacetic acids and salts ................................................................... 27 N-Methyl perfluoroalkane sulfonamidoethyl acrylates ..........................................................................27 N-Ethyl perfluoroalkane sulfonamidoethyl acrylates ............................................................................. 28 N-Methyl perfluoroalkane sulfonamidoethyl methacrylates ................................................................. 28 N-Ethyl perfluoroalkane sulfonamidoethyl methacrylates .....................................................................29 Figure S1. Terminology Decision Flowcharts ..............................................................................................30 Example #1 8:2 Fluorotelomer alcohol .................................................................................................. 32 Example #2 Perfluorobutane sulfonamide .............................................................................................33 Example #3 Perfluorohexyl phosphonic acid ......................................................................................... 34 Example #4 Side-chain Fluorinated Acrylate Polymer (Fluorotelomer origin) ....................................... 35 3 PART 1 - FAMILIES OF SUBSTANCES (NON-POLYMERS) NAME OF FAMILY FORMULA ACRONYM Perfluoroalkyl substances Generic name: See main paper PFASs Perfluoroalkyl acids Includes perfluoroalkyl carboxylic, sulfonic, sulfinic, phosphonic and phosphinic acids PFAAs Perfluoroalkyl carboxylic acids CnF2n+1COOH PFCAs Perfluoroalkane sulfonic acids CnF2n+1SO3H PFSAs Perfluoroalkane sulfinic acids CnF2n+1SO2H PFSIAs Perfluoroalkyl phosphonic acids O=P(OH)2CnF2n+1 PFPAs Perfluoroalkyl phosphinic acids O=P(OH)(CnF2n+1)(CmF2m+1) PFPIAs NAME OF FAMILY Perfluoroalkyl iodides (n:2) Fluorotelomer iodides (n:2) Fluorotelomer olefins (n:2) Fluorotelomer alcohols (n:2) Fluorotelomer acrylates (n:2) Fluorotelomer methacrylates FORMULA CnF2n+1I CnF2n+1CH2CH2I CnF2n+1CH=CH2 CnF2n+1CH2CH2OH CnF2n+1CH2CH2OC(O)CH=CH2 CnF2n+1CH2CH2OC(O)C(CH3)=CH2 ACRONYM PFAIs (n:2) FTIs (n:2) FTOs (n:2) FTOHs (n:2) FTACs (n:2) FTMACs 4 Polyfluoroalkyl phosphoric acid esters / Polyfluoroalkyl phosphates / (n:2) Fluorotelomer phosphates Polyfluoroalkyl phosphoric acid monoesters Polyfluoroalkyl phosphoric acid diesters Semi-fluorinated n-alkanes Semi-fluorinated n-alkenes (n:2) Fluorotelomer (saturated) aldehydes (n:2) Fluorotelomer unsaturated aldehydes Perfluoroalkyl aldehydes Perfluoroalkyl aldehyde hydrates (n:2) Fluorotelomer (saturated) carboxylic acids (n:2) Fluorotelomer unsaturated carboxylic acids [Biotransformation product of (n+1):2 FTOH] [Biotransformation product of (n+1):2 FTOH] (n:2) Fluorotelomer sulfonic acids (O)P(OH)3-x(OCH2CH2CnF2n+1)x (O)P(OH)2(OCH2CH2CnF2n+1) (O)P(OH)(OCH2CH2CnF2n+1)(OCH2CH2CmF2m+1) F(CF2)n(CH2)mH F(CF2)nCH=CH(CH2)m-2H CnF2n+1CH2CHO Cn-1F2n-1CF=CHCHO CnF2n+1CHO CnF2n+1CH(OH)2 CnF2n+1CH2COOH Cn-1F2n-1CF=CHCOOH CnF2n+1CH2CH2COOH CnF2n+1CH=CHCOOH CnF2n+1CH2CH2SO3H PAPs monoPAPs diPAPs SFAs SFAenes (n:2) FTALs (n:2) FTUALs PFALs PFAL.H2Os (n:2) FTCAs (n:2) FTUCAs n:3 Acid n:3 UAcid (n:2) FTSAs 5 NAME OF FAMILY Perfluoroalkane sulfonyl fluorides Perfluoroalkane sulfonamides N-Methyl perfluoroalkane sulfonamides N-Ethyl perfluoroalkane sulfonamides N,N-Dialkyl perfluoroalkane sulfonamides Perfluoroalkane sulfonamidoethanols Perfluoroalkane sulfonamidoacetic acids N-Methyl perfluoroalkane sulfonamidoethanols N-Ethyl perfluoroalkane sulfonamidoethanols N-Methyl perfluoroalkane sulfonamidoacetic acids N-Ethyl perfluoroalkane sulfonamidoacetic acids N-Methyl perfluoroalkane sulfonamidoethyl acrylates N-Ethyl perfluoroalkane sulfonamidoethyl acrylates N-Methyl perfluoroalkane sulfonamidoethyl methacrylates N-Ethyl perfluoroalkane sulfonamidoethyl methacrylates FORMULA CnF2n+1SO2F CnF2n+1SO2NH2 CnF2n+1SO2NH(CH3) CnF2n+1SO2NH(C2H5) CnF2n+1SO2N(CmH2m+1)(CpH2p+1), with m, p = 1 or 2 CnF2n+1SO2NHCH2CH2OH CnF2n+1SO2NHCH2COOH CnF2n+1SO2N(CH3)CH2CH2OH CnF2n+1SO2N(C2H5)CH2CH2OH CnF2n+1SO2N(CH3)CH2COOH CnF2n+1SO2N(C2H5)CH2COOH CnF2n+1SO2N(CH3)CH2CH2OC(O)CH=CH2 CnF2n+1SO2N(C2H5)CH2CH2OC(O)CH=CH2 CnF2n+1SO2N(CH3)CH2CH2OC(O)C(CH3)=CH2 CnF2n+1SO2N(C2H5)CH2CH2OC(O)C(CH3)=CH2 ACRONYM PASFs FASAs MeFASAs EtFASAs Me2FASAs, Et2FASAs, MeEtFASAs FASEs FASAAs MeFASEs EtFASEs MeFASAAs EtFASAAs MeFASACs EtFASACs MeFASMACs EtFASMACs 6 PART 2 - SELECTED INDIVIDUAL COMPOUNDS (NON-POLYMERS) Perfluoroalkyl carboxylic acids (and selected salts) FORMULA CAS REGISTRY NUMBER ACRONYM Trifluoroacetic acid CF3COOH 76-05-1 TFAA Perfluoropropanoic acid C2F5COOH 422-64-0 PFPrA Perfluorobutanoic acid C3F7COOH 375-22-4 PFBA Ammonium perfluorobutanoate NH4+ C3F7COO- 10495-86-0 NH4-PFBA Sodium perfluorobutanoate Na+ C3F7COO- 2218-54-4 Na-PFBA Perfluoropentanoic acid C4F9COOH 2706-90-3 PFPeA Ammonium perfluoropentanoate NH4+ C4F9COO- 68259-11-0 NH4-PFPeA Perfluorohexanoic acid C5F11COOH 307-24-4 PFHxA Ammonium perfluorohexanoate NH4+ C5F11COO- 21615-47-4 NH4-PFHxA Sodium perfluorohexanoate Na+ C5F11COO- 2923-26-4 Na-PFHxA Perfluoroheptanoic acid C6F13COOH 375-85-9 PFHpA Ammonium perfluoroheptanoate NH4+ C6F13COO- 6130-43-4 NH4-PFHpA Sodium perfluoroheptanoate Na+ C6F13COO- 20109-59-5 Na-PFHpA Perfluorooctanoic acid C7F15COOH 335-67-1 PFOA Ammonium perfluorooctanoate NH4+ C7F15COO- 3825-26-1 APFO (or NH4-PFOA) 7 Sodium perfluorooctanoate Potassium perfluorooctanoate Perfluorononanoic acid Ammonium perfluorononanoate Sodium perfluorononanoate Perfluorodecanoic acid Ammonium perfluorodecanoate Perfluoroundecanoic acid Ammonium perfluoroundecanoate Perfluorododecanoic acid Perfluorotridecanoic acid Perfluorotetradecanoic acid Perfluoropentadecanoic acid Perfluorohexadecanoic acid Perfluoroheptadecanoic acid Perfluorooctadecanoic acid Perfluoroalkyl carboxylate anions Trifluoroacetate Na+ C7F15COOK+ C7F15COOC8F17COOH NH4+ C8F17COO- Na+ C8F17COOC9F19COOH NH4+ C9F19COOC10F21COOH NH4+ C10F21COOC11F23COOH C12F25COOH C13F27COOH C14F29COOH C15F31COOH C16F33COOH C17F35COOH FORMULA CF3COO- 335-95-5 2395-00-8 375-95-1 4149-60-4 21049-39-8 335-76-2 3108-42-7 2058-94-8 4234-23-5 307-55-1 72629-94-8 376-06-7 141074-63-7 67905-19-5 57475-95-3 16517-11-6 CAS REGISTRY NUMBER 14477-72-6 Na-PFOA K-PFOA PFNA APFN (or NH4PFNA) Na-PFNA PFDA NH4-PFDA PFUnDA NH4-PFUnDA PFDoDA PFTrDA PFTeDA PFPeDA PFHxDA PFHpDA PFODA ACRONYM TFA 8 Perfluoropropanoate Perfluorobutanoate Perfluoropentanoate Perfluorohexanoate Perfluorohepanoate Perfluorooctanoate Perfluorononanoate Perfluorodecanoate Perfluoroundecanoate Perfluorododecanoate Perfluorotridecanoate Perfluorotetradecanoate Perfluoropentadecanoate Perfluorohexadecanoate Perfluoroheptadecanoate Perfluorooctadecanoate C2F5COOC3F7COOC4F9COOC5F11COOC6F13COOC7F15COOC8F17COOC9F19COOC10F21COOC11F23COOC12F25COOC13F27COOC14F29COOC15F31COOC16F33COOC17F35COO- 44864-55-3 45048-62-2 45167-47-3 92612-52-7 120885-29-2 45285-51-6 72007-68-2 73829-36-4 196859-54-8 171978-95-3 862374-87-6 365971-87-5 1214264-29-5 1214264-30-8 None available 798556-82-8 PFPrA PFBA PFPeA PFHxA PFHpA PFOA PFNA PFDA PFUnDA PFDoDA PFTrDA PFTeDA PFPeDA PFHxDA PFHpDA PFODA 9 Perfluoroalkane sulfonic acids (and selected anions and salts) Trifluoromethane sulfonic (or triflic) acid Perfluoroethane sulfonic acid Perfluoropropane sulfonic acid Perfluorobutane sulfonic acid Perfluorobutane sulfonate anion Potassium perfluorobutane sulfonate Perfluoropentane sulfonic acid Potassium perfluopentane sulfonate Perfluorohexane sulfonic acid Perfluorohexane sulfonate anion Potassium perfluorohexane sulfonate Perfluoroheptane sulfonic acid Ammonium perfluoroheptane sulfonate Potassium perfluoroheptane sulfonate Perfluorooctane sulfonic acid Perfluorooctane sulfonate anion FORMULA CF3SO3H C2F5SO3H C3F7SO3H C4F9SO3H C4F9SO3K+ C4F9SO3C5F11SO3H K+ C5F11SO3C6F13SO3H C6F13SO3K+ C6F13SO3C7F15SO3H NH4+ C7F15SO3K+ C7F15SO3C8F17SO3H C8F17SO3- CAS REGISTRY NUMBER ACRONYM 1493-13-6 354-88-1 423-41-6 375-73-5 or 59933-66-3 45187-15-3 29420-49-3 2706-91-4 3872-25-1 355-46-4 108427-53-8 3871-99-6 375-92-8 68259-07-4 60270-55-5 1763-23-1 45298-90-6 TFMS PFEtS PFPrS PFBS PFBS K-PFBS PFPeS K-PFPeS PFHxS PFHxS K-PFHxS PFHpS NH4-PFHpS K-PFHpS PFOS PFOS 10 Ammonium perfluorooctane sulfonate Sodium perfluorooctane sulfonate Potassium perfluorooctane sulfonate Lithium perfluorooctane sulfonate Tetraethylammonium perfluorooctane sulfonate Diethanolammonium perfluorooctane sulfonate Perfluorononane sulfonic acid Ammonium perfluorononane sulfonate Perfluorodecane sulfonic acid Perfluorodecane sulfonate anion Ammonium perfluorodecane sulfonate Potassium perfluorodecane sulfonate Perfluoroundecane sulfonic acid Perfluorododecane sulfonic acid NH4+ C8F17SO3Na+ C8F17SO3K+ C8F17SO3Li+ C8F17SO3N(C2H5)4+ C8F17SO3- NH2(CH2CH2OH)2+ C8F17SO3- C9F19SO3H NH4+ C9F19SO3C10F21SO3H C10F21SO3NH4+ C10F21SO3K+ C10F21SO3C11F23SO3H C12F25SO3H Perfluoroalkane sulfinic acids Perfluorooctane sulfinic acid FORMULA C8F17SO2H 29081-56-9 4021-47-0 2795-39-3 29457-72-5 56773-42-3 56773-42-3 474511-07-4 17202-41-4 335-77-3 126105-34-8 67906-42-7 2806-16-8 749786-16-1 79780-39-5 CAS REGISTRY NUMBER 647-29-0 NH4-PFOS Na-PFOS K-PFOS Li-PFOS NEt4-PFOS PFNS NH4-PFNS PFDS PFDS NH4-PFDS K-PFDS PFUnDS PFDoDS ACRONYM PFOSI 11 Perfluoroalkyl phosphonic acids FORMULA Perfluorohexyl phosphonic acid Perfluorooctyl phosphonic acid Perfluorodecyl phosphonic acid O=P(OH)2C6F13 O=P(OH)2C8F17 O=P(OH)2C10F21 Perfluoroalkyl phosphinic acids FORMULA Bis(perfluorohexyl) phosphinic acid Bis(perfluorooctyl) phosphinic acid Perfluoro(hexyloctyl) phosphinic acid O=P(OH)(C6F13)2 O=P(OH)(C8F17)2 O=P(OH)(C6F13)(C8F17) Perfluoroalkyl iodides Perfluoro (or pentafluoro)ethyl iodide Perfluorobutyl iodide Perfluorohexyl iodide Perfluorooctyl iodide Perfluorodecyl iodide FORMULA C2F5I C4F9I C6F13I C8F17I C10F21I CAS REGISTRY NUMBER 40143-76-8 40143-78-0 52299-26-0 CAS REGISTRY NUMBER 40143-77-9 40143-79-1 610800-34-5 CAS REGISTRY NUMBER 354-64-3 423-39-2 355-43-1 507-63-1 423-62-1 ACRONYM C6-PFPA C8-PFPA C10-PFPA ACRONYM C6/C6-PFPIA C8/C8-PFPIA C6/C8-PFPIA ACRONYM PFEI PFBI PFHxI PFOI PFDI 12 Perfluorododecyl iodide Perfluorotetradecyl iodide Perfluorohexadecyl iodide Perfluorooctadecyl iodide (n:2) Fluorotelomer iodides 4:2 Fluorotelomer iodide 6:2 Fluorotelomer iodide 8:2 Fluorotelomer iodide 10:2 Fluorotelomer iodide 12:2 Fluorotelomer iodide 14:2 Fluorotelomer iodide 16:2 Fluorotelomer iodide 18:2 Fluorotelomer iodide (n:2) Fluorotelomer olefins 4:2 Fluorotelomer olefin 6:2 Fluorotelomer olefin C12F25I C14F29I C16F33I C18F37I FORMULA C4F9CH2CH2I C6F13CH2CH2I C8F17CH2CH2I C10F21CH2CH2I C12F25CH2CH2I C14F29CH2CH2I C16F33CH2CH2I C18F37CH2CH2I FORMULA C4F9CH=CH2 C6F13CH=CH2 307-60-8 307-63-1 355-50-0 29809-35-6 CAS REGISTRY NUMBER 2043-55-2 2043-57-4 2043-53-0 2043-54-1 30046-31-2 65510-55-6 65150-94-9 65104-63-4 CAS REGISTRY NUMBER 19430-93-4 25291-17-2 PFDoDI PFTeDI PFHxDI PFODI ACRONYM 4:2 FTI 6:2 FTI 8:2 FTI 10:2 FTI 12:2 FTI 14:2 FTI 16:2 FTI 18:2 FTI ACRONYM 4:2 FTO 6:2 FTO 13 8:2 Fluorotelomer olefin 10:2 Fluorotelomer olefin 12:2 Fluorotelomer olefin C8F17CH=CH2 C10F21CH=CH2 C12F25CH=CH2 (n:2) Fluorotelomer alcohols 4:2-Fluorotelomer alcohol 6:2-Fluorotelomer alcohol 8:2-Fluorotelomer alcohol 10:2-Fluorotelomer alcohol 12:2 Fluorotelomer alcohol 14:2 Fluorotelomer alcohol 16:2 Fluorotelomer alcohol 18:2 Fluorotelomer alcohol FORMULA C4F9CH2CH2OH C6F13CH2CH2OH C8F17CH2CH2OH C10F21CH2CH2OH C12F25CH2CH2OH C14F29CH2CH2OH C16F33CH2CH2OH C18F37CH2CH2OH (n:2) Fluorotelomer acrylates 4:2 Fluorotelomer acrylate 6:2 Fluorotelomer acrylate 8:2 Fluorotelomer acrylate FORMULA C4F9CH2CH2OC(O)CH=CH2 C6F13CH2CH2OC(O)CH=CH2 C8F17CH2CH2OC(O)CH=CH2 21652-58-4 30389-25-4 67103-05-3 CAS REGISTRY NUMBER 2043-47-2 647-42-7 678-39-7 865-86-1 39239-77-5 60699-51-6 65104-67-8 65104-65-6 CAS REGISTRY NUMBER 52591-27-2 17527-29-6 27905-45-9 8:2 FTO 10:2 FTO 12:2 FTO ACRONYM 4:2 FTOH 6:2 FTOH 8:2 FTOH 10:2 FTOH 12:2 FTOH 14:2 FTOH 16:2 FTOH 18:2 FTOH ACRONYM 4:2 FTAC 6:2 FTAC 8:2 FTAC 14 10:2 Fluorotelomer acrylate 12:2 Fluorotelomer acrylate 14:2 Fluorotelomer acrylate 16:2 Fluorotelomer acrylate 18:2 Fluorotelomer acrylate (n:2) Fluorotelomer methacrylates 4:2 Fluorotelomer methacrylate 6:2 Fluorotelomer methacrylate 8:2 Fluorotelomer methacrylate 10:2 Fluorotelomer methacrylate 12:2 Fluorotelomer methacrylate 14:2 Fluorotelomer methacrylate 16:2 Fluorotelomer methacrylate 18:2 Fluorotelomer methacrylate C10F21CH2CH2OC(O)CH=CH2 C12F25CH2CH2OC(O)CH=CH2 C14F29CH2CH2OC(O)CH=CH2 C16F33CH2CH2OC(O)CH=CH2 C18F37CH2CH2OC(O)CH=CH2 FORMULA C4F9CH2CH2OC(O)C(CH3)=CH2 C6F13CH2CH2OC(O)C(CH3)=CH2 C8F17CH2CH2OC(O)C(CH3)=CH2 C10F21CH2CH2OC(O)C(CH3)=CH2 C12F25CH2CH2OC(O)C(CH3)=CH2 C14F29CH2CH2OC(O)C(CH3)=CH2 C16F33CH2CH2OC(O)C(CH3)=CH2 C18F37CH2CH2OC(O)C(CH3)=CH2 17741-60-5 34395-24-9 34362-49-7 65150-93-8 65104-64-5 CAS REGISTRY NUMBER 1799-84-4 2144-53-8 1996-88-9 2144-54-9 6014-75-1 4980-53-4 59778-97-1 65104-66-7 10:2 FTAC 12:2 FTAC 14:2 FTAC 16:2 FTAC 18:2 FTAC ACRONYM 4:2 FTMAC 6:2 FTMAC 8:2 FTMAC 10:2 FTMAC 12:2 FTMAC 14:2 FTMAC 16:2 FTMAC 18:2 FTMAC 15 Polyfluoroalkyl phosphoric acid monoesters (= fluorotelomer phosphate monoesters) 4:2 Fluorotelomer phosphate monoester 6:2 Fluorotelomer phosphate monoester 8:2 Fluorotelomer phosphate monoester 10:2 Fluorotelomer phosphate monoester 12:2 Fluorotelomer phosphate monoester Polyfluoroalkyl phosphoric acid diesters (= fluorotelomer phosphate diesters) 4:2 Fluorotelomer phosphate diester 4:2/6:2 Fluorotelomer phosphate diester 6:2 Fluorotelomer phosphate diester 6:2/8:2 Fluorotelomer phosphate diester 8:2 Fluorotelomer phosphate diester 8:2/10:2 Fluorotelomer phosphate diester 10:2 Fluorotelomer phosphate diester 10:2/12:2 Fluorotel. phosphate diester 12:2 Fluorotelomer phosphate diester FORMULA (O)P(OH)2(OCH2CH2C4F9) (O)P(OH)2(OCH2CH2C6F13) (O)P(OH)2(OCH2CH2C8F17) (O)P(OH)2(OCH2CH2C10F21) (O)P(OH)2(OCH2CH2C12F25) FORMULA (O)P(OH)(OCH2CH2C4F9)2 (O)P(OH)(OCH2CH2C4F9)(OCH2CH2C6F13) (O)P(OH)(OCH2CH2C6F13)2 (O)P(OH)(OCH2CH2C6F13)(OCH2CH2C8F17) (O)P(OH)(OCH2CH2C8F17)2 (O)P(OH)(OCH2CH2C8F17)(OCH2CH2C10F21) (O)P(OH)(OCH2CH2C10F21)2 (O)P(OH)(OCH2CH2C10F21)(OCH2CH2C12F25) (O)P(OH)(OCH2CH2C12F25)2 CAS REGISTRY NUMBER 150065-76-2 57678-01-0 57678-03-2 57678-05-4 57678-07-6 CAS REGISTRY NUMBER 135098-69-0 1158182-59-2 57677-95-9 943913-15-3 678-41-1 1158182-60-5 1895-26-7 1158182-61-6 57677-99-3 ACRONYM 4:2 monoPAP 6:2 monoPAP 8:2 monoPAP 10:2 monoPAP 12:2 monoPAP ACRONYM 4:2 diPAP 4:2/6:2 diPAP 6:2 diPAP 6:2/8:2 diPAP 8:2 diPAP 8:2/10:2 diPAP 10:2 diPAP 10:2/12:2 diPAP 12:2 diPAP 16 Semifluorinated n-alkanes (Perfluorooctyl)ethane (Perfluorohexyl)octane (Perfluorohexyl)hexadecane (Perfluorooctyl)hexadecane (Perfluorohexadecyl)hexadecane Semifluorinated n-alkenes (Perfluorohexyl)hexadecene (Perfluorooctyl)hexadecene (Perfluorohexadecyl)hexadecene FORMULA F(CF2)8(CH2)2H F(CF2)6(CH2)8H F(CF2)6(CH2)16H F(CF2)8(CH2)16H F(CF2)16(CH2)16H FORMULA F(CF2)6CH=CH(CH2)14H F(CF2)8CH=CH(CH2)14H F(CF2)16CH=CH(CH2)14H CAS REGISTRY NUMBER 77117-48-7 133331-77-8 133310-71-1 117146-18-6 137338-42-2 CAS REGISTRY NUMBER 1244062-15-4 1244062-16-5 1244062-14-3 ACRONYM F8H2 F6H8 F6H16 F8H16 F16H16 ACRONYM F6H16ene F8H16ene F16H16ene 17 (n:2) Fluorotelomer (saturated) aldehydes 4:2 Fluorotelomer aldehyde 6:2 Fluorotelomer aldehyde 8:2 Fluorotelomer aldehyde 10:2 Fluorotelomer aldehyde 12:2 Fluorotelomer aldehyde FORMULA C4F9CH2CHO C6F13CH2CHO C8F17CH2CHO C10F21CH2CHO C12F25CH2CHO (n:2) Fluorotelomer unsaturated aldehydes 4:2 Fluorotelomer unsaturated aldehyde 6:2 Fluorotelomer unsaturated aldehyde 8:2 Fluorotelomer unsaturated aldehyde 10:2 Fluorotelomer unsaturated aldehyde 12:2 Fluorotelomer unsaturated aldehyde FORMULA C3F7CF=CHCHO C5F11CF=CHCHO C7F15CF=CHCHO C9F19CF=CHCHO C11F23CF=CHCHO CAS REGISTRY NUMBER 135984-67-7 56734-81-7 135984-68-8 864551-38-2 None available CAS REGISTRY NUMBER 864551-39-3 69534-12-9 58544-13-1 864551-40-6 None available ACRONYM 4:2 FTAL 6:2 FTAL 8:2 FTAL 10:2 FTAL 12:2 FTAL ACRONYM 4:2 FTUAL 6:2 FTUAL 8:2 FTUAL 10:2 FTUAL 12:2 FTUAL 18 Perfluoroalkyl aldehydes Perfluoropentanal Perfluoroheptanal Perfluorooctanal Perfluorononanal Perfluoroundecanal Perfluoroalkyl aldehyde hydrates Perfluoropentanal hydrate Perfluoroheptanal hydrate Perfluorononanal hydrate Perfluoroundecanal hydrate FORMULA C4F9CHO C6F13CHO C7F15CHO C8F17CHO C10F21CHO FORMULA C4F9CH(OH)2 C6F13CH(OH)2 C8F17CH(OH)2 C10F21CH(OH)2 CAS REGISTRY NUMBER 375-53-1 63967-41-9 335-60-4 63967-40-8 63967-42-0 CAS REGISTRY NUMBER 355-30-6 64739-16-8 191528-99-1 None Available ACRONYM PFPeAL PFHpAL PFOAL PFNAL PFUnDAL ACRONYM PFPeAL.H2O PFHpAL.H2O PFNAL.H2O PFUnDAL.H2O 19 (n:2) Fluorotelomer (saturated) carboxylic acids 6:2 Fluorotelomer carboxylic acid 8:2 Fluorotelomer carboxylic acid 10:2 Fluorotelomer carboxylic acid 12:2 Fluorotelomer carboxylic acid FORMULA C6F13CH2COOH C8F17CH2COOH C10F21CH2COOH C12F25CH2COOH (n:2) Fluorotelomer unsaturated carboxylic acids 6:2 Fluorotelomer unsaturated carboxylic acid 8:2 Fluorotelomer unsaturated carboxylic acid 10:2 Fluorotelomer unsaturated carboxylic acid 12:2 Fluorotelomer unsaturated carboxylic acid FORMULA C5F11CF=CHCOOH C7F15CF=CHCOOH C9F19CF=CHCOOH C11F23CF=CHCOOH CAS REGISTRY NUMBER 53826-12-3 27854-31-5 53826-13-4 70887-93-3 CAS REGISTRY NUMBER 70887-88-6 70887-84-2 70887-94-4 70887-95-5 ACRONYM 6:2 FTCA 8:2 FTCA 10:2 FTCA 12:2 FTCA ACRONYM 6:2 FTUCA 8:2 FTUCA 10:2 FTUCA 12:2 FTUCA 20 Other biotransformation products of n:2 FTOHs 4:3 Acid 5:3 Acid 6:3 Acid 7:3 Acid 5:3 Unsaturated carboxylic acid 7:3 Unsaturated carboxylic acid FORMULA C4F9(CH2)2COOH C5F11(CH2)2COOH C6F13(CH2)2COOH C7F15(CH2)2COOH C5F11CH=CHCOOH C7F15CH=CHCOOH (n:2) Fluorotelomer sulfonic acids 4:2 Fluorotelomer sulfonic acid 6:2 Fluorotelomer sulfonic acid 8:2 Fluorotelomer sulfonic acid 10:2 Fluorotelomer sulfonic acid FORMULA C4F9CH2CH2SO3H C6F13CH2CH2SO3H C8F17CH2CH2SO3H C10F21CH2CH2SO3H CAS REGISTRY NUMBER 80705-13-1 914637-49-3 27854-30-4 812-70-4 1869-04-1 875878-70-9 (E) 755-03-3 56017-63-1 (E) 173441-56-0 (Z) CAS REGISTRY NUMBER 757124-72-4 27619-97-2 39108-34-4 120226-60-0 ACRONYM 4:3 Acid 5:3 Acid 6:3 Acid 7:3 Acid 5:3 UAcid 7:3 UAcid ACRONYM 4:2 FTSA 6:2 FTSA 8:2 FTSA 10:2 FTSA 21 (n:2) Fluorotelomer sulfonate anions 4:2 Fluorotelomer sulfonate anion 6:2 Fluorotelomer sulfonate anion 8:2 Fluorotelomer sulfonate anion 10:2 Fluorotelomer sulfonate anion FORMULA C4F9CH2CH2SO3C6F13CH2CH2SO3C8F17CH2CH2SO3C10F21CH2CH2SO3- Perfluoroalkane sulfonyl fluorides Perfluorobutane sulfonyl fluoride Perfluoropentane sulfonyl fluoride Perfluorohexane sulfonyl fluoride Perfluoroheptane sulfonyl fluoride Perfluorooctane sulfonyl fluoride Perfluorononane sulfonyl fluoride Perfluorodecane sulfonyl fluoride FORMULA C4F9SO2F C5F11SO2F C6F13SO2F C7F15SO2F C8F17SO2F C9F19SO2F C10F21SO2F CAS REGISTRY NUMBER 414911-30-1 425670-75-3 481071-78-7 None available CAS REGISTRY NUMBER 375-72-4 375-81-5 423-50-7 335-71-7 307-35-7 68259-06-3 307-51-7 ACRONYM 4:2 FTSA 6:2 FTSA 8:2 FTSA 10:2 FTSA ACRONYM PBSF PPeSF PHxSF PHpSF POSF PNSF PDSF 22 Perfluoroalkane sulfonamides Perfluorobutane sulfonamide Perfluoropentane sulfonamide Perfluorohexane sulfonamide Perfluoroheptane sulfonamide Perfluorooctane sulfonamide N-Methyl perfluoroalkane sulfonamides N-Methyl perfluorobutane sulfonamide N-Methyl perfluoropentane sulfonamide N-Methyl perfluorohexane sulfonamide N-Methyl perfluoroheptane sulfonamide N-Methyl perfluorooctane sulfonamide N-Ethyl perfluoroalkane sulfonamides N-Ethyl perfluorobutane sulfonamide N-Ethyl perfluoropentane sulfonamide N-Ethyl perfluorohexane sulfonamide FORMULA C4F9SO2NH2 C5F11SO2NH2 C6F13SO2NH2 C7F15SO2NH2 C8F17SO2NH2 FORMULA C4F9SO2NH(CH3) C5F11SO2NH(CH3) C6F13SO2NH(CH3) C7F15SO2NH(CH3) C8F17SO2NH(CH3) FORMULA C4F9SO2NH(C2H5) C5F11SO2NH(C2H5) C6F13SO2NH(C2H5) CAS REGISTRY NUMBER 30334-69-1 82765-76-2 41997-13-1 82765-77-3 754-91-6 CAS REGISTRY NUMBER 68298-12-4 68298-13-5 68259-15-4 68259-14-3 31506-32-8 CAS REGISTRY NUMBER 40630-67-9 162682-16-8 87988-56-5 ACRONYM FBSA FPeSA FHxSA FHpSA FOSA ACRONYM MeFBSA MeFPeSA MeFHxSA MeFHpSA MeFOSA ACRONYM EtFBSA EtFPeSA EtFHxSA 23 N-Ethyl perfluoroheptane sulfonamide C7F15SO2NH(C2H5) N-Ethyl perfluorooctane sulfonamide C8F17SO2NH(C2H5) (sulfluramid) N,N-Dialkyl perfluoroalkane sulfonamides FORMULA N,N-Dimethyl perfluorooctane sulfonamide C8F17SO2N(CH3)2 N,N-Diethyl perfluorooctane sulfonamide C8F17SO2N(C2H5)2 Perfluoroalkane sulfonamido ethanols Perfluorobutane sulfonamidoethanol Perfluoropentane sulfonamidoethanol Perfluorohexane sulfonamidoethanol Perfluoroheptane sulfonamidoethanol Perfluorooctane sulfonamidoethanol FORMULA C4F9SO2NHCH2CH2OH C5F11SO2NHCH2CH2OH C6F13SO2NHCH2CH2OH C7F15SO2NHCH2CH2OH C8F17SO2NHCH2CH2OH 68957-62-0 4151-50-2 CAS REGISTRY NUMBER 213181-78-3 87988-61-2 CAS REGISTRY NUMBER 34454-99-4 None available 106443-63-4 167398-54-1 10116-92-4 EtFHpSA EtFOSA ACRONYM Me2FOSA Et2FOSA ACRONYM FBSE FPeSE FHxSE FHpSE FOSE 24 Perfluoroalkane sulfonamidoacetic acids Perfluorobutane sulfonamidoacetic acid Perfluoropentane sulfonamidoacetic acid Perfluorohexane sulfonamidoacetic acid Perfluoroheptane sulfonamidoacetic acid Perfluorooctane sulfonamidoacetic acid FORMULA C4F9SO2NHCH2COOH C5F11SO2NHCH2COOH C6F2n+1SO2NHCH2COOH C7F15SO2NHCH2COOH C8F17SO2NHCH2COOH N-Methyl perfluoroalkane sulfonamidoethanols N-Methyl perfluorobutane sulfonamidoethanol N-Methyl perfluoropentane sulfonamidoethanol N-Methyl perfluorohexane sulfonamidoethanol N-Methyl perfluoroheptane sulfonamidoethanol N-Methyl perfluorooctane sulfonamidoethanol FORMULA C4F9SO2N(CH3)CH2CH2OH C5F11SO2N(CH3)CH2CH2OH C6F13SO2N(CH3)CH2CH2OH C7F15SO2N(CH3)CH2CH2OH C8F17SO2N(CH3)CH2CH2OH CAS REGISTRY NUMBER 347872-22-4 647-43-8 1003193-99-4 1003194-00-0 2806-24-8 CAS REGISTRY NUMBER 34454-97-2 68555-74-8 68555-75-9 68555-76-0 24448-09-7 ACRONYM FBSAA FPeSAA FHxSAA FHpSAA FOSAA ACRONYM MeFBSE MeFPeSE MeFHxSE MeFHpSE MeFOSE 25 N-Ethyl perfluoroalkane sulfonamidoethanols N-Ethyl perfluorobutane sulfonamidoethanol N-Ethyl perfluoropentane sulfonamidoethanol N-Ethyl perfluorohexane sulfonamidoethanol N-Ethyl perfluoroheptane sulfonamidoethanol N-Ethyl perfluorooctane sulfonamidoethanol FORMULA C4F9SO2N(C2H5)CH2CH2OH C5F11SO2N(C2H5)CH2CH2OH C6F13SO2N(C2H5)CH2CH2OH C7F15SO2N(C2H5)CH2CH2OH C8F17SO2N(C2H5)CH2CH2OH N-Methyl perfluoroalkane sulfonamidoacetic acids and salts N-Methyl perfluorobutane sulfonamidoacetic acid N-Methyl perfluorohexane sulfonamidoacetic acid N-Methyl perfluorooctane sulfonamidoacetic acid Potassium N-methyl perfluorooctane sulfonamidoacetate FORMULA C4F9SO2N(CH3)CH2COOH C6F13SO2N(CH3)CH2COOH C8F17SO2N(CH3)CH2COOH K+ C8F17SO2N(CH3)CH2COO- CAS REGISTRY NUMBER 34449-89-3 68555-72-6 34455-03-3 68555-73-7 1691-99-2 CAS REGISTRY NUMBER 159381-10-9 715646-50-7 2355-31-9 70281-93-5 ACRONYM EtFBSE EtFPeSE EtFHxSE EtFHpSE EtFOSE ACRONYM MeFBSAA MeFHxSAA MeFOSAA K-MeFOSAA 26 N-Ethyl perfluoroalkane sulfonamidoacetic acids and salts FORMULA Nac-iEdthyl perfluorobutane sulfonamidoacetic C4F9SO2N(C2H5)CH2COOH N-Ethyl perfluoropentane sulfonamidoacetic acid C5F11SO2N(C2H5)CH2COOH N-Ethyl perfluorohexane sulfonamidoacetic acid C6F13SO2N(C2H5)CH2COOH N-Ethyl perfluoroheptane sulfonamidoacetic acid C7F15SO2N(C2H5)CH2COOH Nac-iEdthyl perfluorooctane sulfonamidoacetic C8F17SO2N(C2H5)CH2COOH Potassium N-ethyl perfluorooctane sulfonamidoacetate K+ C8F17SO2N(C2H5)CH2COO- N-Methyl perfluoroalkane sulfonamidoethyl acrylates N-Methyl perfluorobutane sulfonamidoethyl acrylate N-Methyl perfluoropentane sulfonamidoethyl acrylate N-Methyl perfluorohexane sulfonamidoethyl acrylate FORMULA C4F9SO2N(CH3)CH2CH2OC(O)CH=CH2 C5F11SO2N(CH3)CH2CH2OC(O)CH=CH2 C6F13SO2N(CH3)CH2CH2OC(O)CH=CH2 CAS REGISTRY NUMBER 68957-33-5 68957-31-3 68957-32-4 68957-63-1 2991-50-6 2991-51-7 CAS REGISTRY NUMBER 67584-55-8 67584-56-9 67584-57-0 ACRONYM EtFBSAA EtFPeSAA EtFHxSAA EtFHpSAA EtFOSAA K-EtFOSAA ACRONYM MeFBSAC MeFPeSAC MeFHxSAC 27 N-Methyl perfluoroheptane sulfonamidoethyl acrylate N-Methyl perfluorooctane sulfonamidoethyl acrylate N-Ethyl perfluoroalkane sulfonamidoethyl acrylates N-Ethyl perfluorobutane sulfonamidoethyl acrylate N-Ethyl perfluoropentane sulfonamidoethyl acrylate N-Ethyl perfluorohexane sulfonamidoethyl acrylate N-Ethyl perfluoroheptane sulfonamidoethyl acrylate N-Ethyl perfluorooctane sulfonamidoethyl acrylate N-Methyl perfluoroalkane sulfonamidoethyl methacrylates N-Methyl perfluorobutane sulfonamidoethyl methacrylate N-Methyl perfluoropentane sulfonamidoethyl methacrylate N-Methyl perfluorohexane sulfonamidoethyl methacrylate C7F15SO2N(CH3)CH2CH2OC(O)CH=CH2 C8F17SO2N(CH3)CH2CH2OC(O)CH=CH2 FORMULA C4F9SO2N(C2H5)CH2CH2OC(O)CH=CH2 C5F11SO2N(C2H5)CH2CH2OC(O)CH=CH2 C6F13SO2N(C2H5)CH2CH2OC(O)CH=CH2 C7F15SO2N(C2H5)CH2CH2OC(O)CH=CH2 C8F17SO2N(C2H5)CH2CH2OC(O)CH=CH2 FORMULA C4F9SO2N(CH3)CH2CH2OC(O)C(CH3)=CH2 C5F11SO2N(CH3)CH2CH2OC(O)C(CH3)=CH2 C6F13SO2N(CH3)CH2CH2OC(O)C(CH3)=CH2 68084-62-8 25268-77-3 CAS REGISTRY NUMBER 17329-79-2 68298-06-6 1893-52-3 59071-10-2 423-82-5 CAS REGISTRY NUMBER 67584-59-2 67584-60-5 67584-61-6 MeFHpSAC MeFOSAC ACRONYM EtFBSAC EtFPeSAC EtFHxSAC EtFHpSAC EtFOSAC ACRONYM MeFBSMAC MeFPeSMAC MeFHxSMAC 28 N-Methyl perfluoroheptane sulfonamidoethyl methacrylate N-Methyl perfluorooctane sulfonamidoethyl methacrylate N-Ethyl perfluoroalkane sulfonamidoethyl methacrylates N-Ethyl perfluorobutane sulfonamidoethyl methacrylate N-Ethyl perfluoropentane sulfonamidoethyl methacrylate N-Ethyl perfluorohexane sulfonamidoethyl methacrylate N-Ethyl perfluoroheptane sulfonamidoethyl methacrylate N-Ethyl perfluorooctane sulfonamidoethyl methacrylate C7F15SO2N(CH3)CH2CH2OC(O)C(CH3)=CH2 C8F17SO2N(CH3)CH2CH2OC(O)C(CH3)=CH2 FORMULA C4F9SO2N(C2H5)CH2CH2OC(O)C(CH3)=CH2 C5F11SO2N(C2H5)CH2CH2OC(O)C(CH3)=CH2 C6F13SO2N(C2H5)CH2CH2OC(O)C(CH3)=CH2 C7F15SO2N(C2H5)CH2CH2OC(O)C(CH3)=CH2 C8F17SO2N(C2H5)CH2CH2OC(O)C(CH3)=CH2 67939-96-2 14650-24-9 CAS REGISTRY NUMBER 67939-33-7 67906-73-4 67906-70-1 67939-36-0 376-14-7 MeFHpSMAC MeFOSMAC ACRONYM EtFBSMAC EtFPeSMAC EtFHxSMAC EtFHpSMAC EtFOSMAC 29 Figure S1. Terminology Decision Flowcharts Fluorinated Polymer Decision 30 Non-Polymer Decision Tree NonPolymer Polyfluorinated Substance Is the substance perfluorinated ? Perfluorinated Substance 1. What is the atomic composition and chemical structure of the polyfluorinated substance? 2. What commercial manufacturing process does the substance originate from? Fluorotelomer Based Electrochemical Fluorination (ECF) Based Fluorinated (Poly) Ether Based What is the functional group "X" attached to the perfluoroalkyl chain in CnF2n+1X ? What's "X?" X=F Perfluorocarbon X = C, P, or S oxidized Perfluoroalkyl Acid X = I, Cl, Br Perfluoroalkyl Halide X = CHO Perfluoroalkyl Aldehyde 31 Example #1 8:2 Fluorotelomer alcohol Substance Chemical Structure F(CF2)8CH2CH2OH Question Conclusion Polymer or Non-Polymer? NonPolymer F(CF2)8CH2CH2OH F(CF2)8CH2CH2OH F(CF2)8CH2CH2OH F(CF2)8CH2CH2OH Perfluorinated? No. The substance has a perfluoroalkyl chain, F(CF2)8-, but all hydrogen on carbons are not replaced with fluorine Polyfluorinated Process Origin? Perfluoroalkyl chain with an ethylene spacer (-CH2CH2-). Fluorotelomer origin Fluorotelomer origin Functionality Alcohol Fluorotelomer Alcohol (FTOH) Eight fluorinated carbons, two non-fluorinated carbons, therefore 8:2 8:2 Fluorotelomer Alcohol (8:2 FTOH) 32 Example #2 Perfluorobutane sulfonamide Substance Chemical Structure F(CF2)4SO2NH2 Question Polymer or NonPolymer? Conclusion Non-Polymer F(CF2)4SO2NH2 F(CF2)4SO2NH2 F(CF2)4SO2NH2 F(CF2)4SO2NH2 Perfluorinated? Yes. All hydrogens on all four carbons are replaced with fluorine. Perfluorobutyl Perfluorinated Perfluoroalkyl Acid? No. Has no acid functionality Process Origin? Perfluoroalkyl chain with a sulfone, -SO2-, spacer. Electrochemical fluorination (ECF) origin ECF origin Functionality Sulfonamide Perfluorobutanesulfonamide (FBSA) 33 Example #3 Perfluorohexyl phosphonic acid Substance Chemical Structure F(CF2)6P(=O)(OH)2 Question Conclusion Polymer or NonPolymer? Non-Polymer F(CF2)6P(=O)(OH)2 F(CF2)6P(=O)(OH)2 F(CF2)6P(=O)(OH)2 Perfluorinated? Yes. All hydrogens on all six carbons are replaced with fluorine. Perfluorohexyl Perfluorinated Perfluoroalkyl Acid? Yes. Phosphonic, - P(=O)(OH)2, acid Perfluoroalkyl acid Perfluorohexyl phosphonic acid (C6-PFPA) 34 Example #4 Side-chain Fluorinated Acrylate Polymer (Fluorotelomer origin) Substance Chemical Structure Question Conclusion Polymer or Non-Polymer? Polymer Fluoropolymer? No. The polymer backbone contains no fluorine bound to carbon. Side-chain fluorinated? Yes Side-chain fluorinated polymer Polymer Type? Acrylate Side-chain fluorinated acrylate polymer 35