3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16,XNUMX-노나코사플루오로헥사데칸올
2-(Perfluorotetradecyl)ethanol
기본 정보
- CAS
60699-51-6- 표준 SMILES
OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
ZDUOTHMDVYXZBS-UHFFFAOYSA-N- 분자식
- C14F29CH2CH2OH
- 평균 분자량
- 764.16 g/mol
- 단동위원소 질량
- 763.9877315
이름 및 식별자
- 우선 이름
- 2-(Perfluorotetradecyl)ethanol
- IUPAC
- 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluorohexadecan-1-ol
- 현지명
- 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16,XNUMX-노나코사플루오로헥사데칸올
- 영어명
- 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluorohexadecanol
- 분자식
- C16H5F29O
- 분자량
- 764.16
이름 및 동의어
2-(Perfluorotetradecyl)ethanol60699-51-63,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-Nonacosafluorohexadecanol14:2 Fluorotelomer alcohol1WN506GHD51,1,2,2-Tetrahydroperfluoro-1-hexadecanol1-Hexadecanol, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluoro-PFA-14DTXSID40694221H,1H,2H,2H-PERFLUOROHEXADECANOLRefChem:84860262-382-7
이름 더 보기
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16,XNUMX-노나코사플루오로헥사데칸올PFA powderPFA micropowderHigh quality PFA powderPolyfluoroalkoxy micropowder3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-Nonacosafluoro-1-hexadecanol
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluorohexadecan-1-ol2-(Perfluorotetradecyl)ethan-1-olEINECS 262-382-7UNII-1WN506GHD51H,1H,2H,2H-perfluorohexadecan-1-oln:2 FTOHs n=7SCHEMBL313333314:2 FTOH
물성
구조 계산 물성
- XLogP
- 9.7
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 30
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 46
- 형식 전하
- 0
- 복잡도
- 1,090
실험 및 물리화학적 성질
PFAS
PFAS -> Other/unspecified
PFAS -> Fluorotelomer based substances
PFAS (n:2 fluorotelomer alcohols, n=7)
PFAS -> Other/unspecified
PFAS -> non-polymer
PFAS -> Identified in migrating and extractable food contact chemical data
물리화학적 성질
- 끓는 점
- 284.8 · 284.8±40.0 °C(Predicted)
- 밀도
- 1.702 · 1.702±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 14.28 · 14.28±0.10(Predicted)
- Henry's Law Constant
- 1.1 · 1.1×10-10 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- InChI
- InChI=1S/C16H5F29O/c17-3(18,1-2-46)4(19,20)5(21,22)6(23,24)7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)13(37,38)14(39,40)15(41,42)16(43,44)45/h46H,1-2H2
- InChIKey
- ZDUOTHMDVYXZBS-UHFFFAOYSA-N
- SMILES
- C(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
- EPA
- 1 · 1-Hexadecanol, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluoro- (60699-51-6)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory Information
S - indicates a substance that is identified in a final Significant New Use Rule.
Substance: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluorohexadecanol
1-Hexadecanol, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluoro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
Uses
• Detected in food contact materials [Ref: Trier, Xenia, Camilla Taxvig, Anna Kjerstine Rosenmai, and Gitte Alsing Pedersen. 2017. PFAS in Paper and Board for Food Contact - Options for Risk Management of Poly- and Perfluorinated Substances. Copenhagen, Denmark.]
non-polymer PFAS -> Paper and packaging -> Food-contact articles
Use Classification
PFAS (n:2 fluorotelomer alcohols, n=7)
PFAS (per- and polyfluoroalkyl substances) -> OECD Category
PFAS -> F-telomer alcohols (FTOH)
General Manufacturing Information1-Hexadecanol, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluoro-: ACTIVE
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