1,1,2,2-Tetrahydroperfluoro-1-decanol

8:2 FTOH · 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecan-1-ol · 1H,1H,2H,2H-PERFLUORODECAN-1-OL · 1H,1H,2H,2H-PERFLUORODECANOL · 1,1,2,2-Tetrahydroperfluoro-1-Decanol/2-(Perfluorooctyl)Ethanol/1H,1H,2H,2H-Perfluorodecan-1-Ol · TEOH-8 · DAIKIN A-1820 · JACS-678-39-7

https://huagongshe.com/ko/chemical/69619

1,1,2,2-Tetrahydroperfluoro-1-decanol 분자 구조식

식별자 및 물리적 특성

CAS No.	678-39-7
분자식	C10H5F17O
평균 분자량	464.12 g/mol
단동위원소 질량	464.00689452 g/mol
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)F
InChIKey	JJUBFBTUBACDHW-UHFFFAOYSA-N
PubChem CID	69619
ChEMBL	CHEMBL3183784
ChEBI	CHEBI:63919
EC No.	211-648-0
DTXSID	DTXSID7029904

화학 및 물리적 성질

XLogP	5.7
극성 표면적	20.2
수소 결합 공여자 수	1
수소 결합 수용자 수	18
회전 가능 결합 수	8
무거운 원자 수	28
형식 전하	0
복잡도	559
물질 분류	Other Classes -> Halogenated Alcohols
PFAS	PFAS -> Other/unspecifiedPFAS -> PFAS with analytical method availablePFAS -> Identified in migrating and extractable food contact chemical dataPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
LogP(분배 계수)	6.14
Endocrine Disruptors	Potential endocrine disrupting compound
증기압	0.02 [mmHg]0.48 ± 0.01 [log Psd at 298.15 K (Pa)]
Physical Description	Waxy solid[ECHA - Proposal for Harmonised Classification and Labelling] White crystalline powder[Sigma-Aldrich MSDS]
Enthalpy of Sublimation	85.0 ± 6.2 [ΔsubHb (kJ/mol) at 296.2-306.2 K]
녹는점	50 °C
끓는 점	113°C 10mm
밀도	1.633±0.06 g/cm3(Predicted)
인화점	None
저장 조건	2-8°C
용해도	클로로포름과 메탄올에 용해됩니다.
물리적 상태	고체
pKa(산도 계수)	14.28±0.10(Predicted)
색상	갈색을 띤 노란색
BRN	2227487
헨리 상수	2.0×10-4 mol/(m3Pa) at 25℃, Abusallout et al. (2022)
주요 응용	PFAS 테스트
InChI	InChI=1S/C10H5F17O/c11-3(12,1-2-28)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h28H,1-2H2
InChIKey	JJUBFBTUBACDHW-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)F
EPA	1-Decanol, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro- (678-39-7)

화학적 성질

White to light yellow solid

안전 및 규제

TSCA 등재 상태
GHS 분류	This chemical does not meet GHS hazard criteria for 96.5% (55 of 57) of all reports.Not ClassifiedAggregated GHS information provided per 57 reports by companies from 4 notifications to the ECHA C&L Inventory.WarningH373: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]P260, P319, and P501 (click each P-code to see the statement)
규제 정보	Chemical: 1-Decanol, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-Hazard Traits - BioaccumulationEnvironmental PersistenceS - indicates a substance that is identified in a final Significant New Use Rule.Substance: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-1-ol1-Decanol, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-: 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.
기타 안전 정보	IMAP assessments - Indirect precursors to perfluorooctanoic acid (PFOA): Environment tier II assessment
유해성 요약	PFOA (perfluorooctanoic acid) is the major mammalian metaboliteAdverse effects to liver (males at 25 mg/kg/day) and kidney (females at 125 mg/kg/day) observed in 90-day oral study of ratsNo effects on fertility observed in oral study of rats (FTOH mixture containing 27% 8:2 FTOH)Developmental toxicity reported in rats in the presence of maternal toxicity[ECHA - Proposal for Harmonised Classification and Labelling] May cause irritation[Sigma-Aldrich MSDS]
Hazard Classes and Categories	Not ClassifiedSpecific target organ toxicity - Repeated exposure - Category 2 (liver)
유해 작용	Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
수질 위해 등급(WGK)	1

용도

일반 설명

1H,1H,2H,2H-Perfluoro-1-decanol (8:2 FTOH) is an 8:2 fluorotelomer alcohol. The quantitative analysis of 8:2 FTOH in soil can be done using GC/MS with instrument detection limit (IDL) of 10fg/L. Studies indicate that hydroxyl radical causes indirect photodegradation of 8:2 FTOH in aqueous media.