3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-ol (HCID 69537)

이름 및 식별자

우선 이름: 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-ol
IUPAC: 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-1-ol
현지명: 3,3,4,4,5,5,6,6,7,7,8,8,8-트라이드카플루오로-1-옥탄올
영어명: 1H,1H,2H,2H-Perfluoro-1-octanol
분자식: C8H5F13O
분자량: 364.1

이름 및 동의어

647-42-73,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-ol2-(Perfluorohexyl)ethanol1H,1H,2H,2H-Perfluorooctan-1-ol1-Octanol, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-Fluorotelomer alcohol 6:2DTXSID5044572G2R5YO5N3V6:2 FTOHA 16203,3,4,4,5,5,6,6,7,7,8,8,8- TRIDECAFLUORO-1-OCTANOLRefChem:1113369

이름 더 보기

3,3,4,4,5,5,6,6,7,7,8,8,8-트라이드카플루오로-1-옥탄올3,3,4,4,5,5,6,6,7,7,8,8,8-트리데카플루오로옥탄-1-올3,3,4,4,5,5,6,6,7,7,8,8,8-트리데카플루오로-1-옥탄올perfluorohexyl ethanolTridecafluoro-l-octanol1H,1H,2H,2H-Tridecafluoro-1-octanol1,1,2,2-Tetrahydroperfluoro-1-octanol

211-477-11H,1H,2H,2H-Perfluoro-1-octanol3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-octanol1H,1H,2H,2H-Perfluorooctanol1H,1H,2H,2H-Tridecafluoro-1-n-octanol2-(Perfluorohexyl) Ethyl Alcohol6:2 Fluorotelomer alcoholMFCD00042143

데이터베이스 식별자

CAS: 647-42-7
PubChem CID: 69537
DTXSID: DTXSID5044572
ChEMBL: CHEMBL3181857
UNII: G2R5YO5N3V
EC Number: 211-477-1
Nikkaji: J205.927D

물성

구조 계산 물성

XLogP: 4.4
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 14
회전 가능 결합 수: 6
무거운 원자 수: 22
형식 전하: 0
복잡도: 395

실험 및 물리화학적 성질

PFAS · 6건

PFAS -> Other/unspecified

PFAS (n:2 fluorotelomer alcohols, n=3)

PFAS

PFAS -> Fluorotelomer based substances

PFAS -> F-telomer alcohols (FTOH)

PFAS -> Other/unspecified

SpringerMaterials PropertiesChemical shift

Physical DescriptionLiquid

물리화학적 성질

녹는점: -35 °C · -35 °C
끓는 점: 88 · 88-95 °C28 mm Hg(lit.)
밀도: 1.651 g/mL · 1.651 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.313(lit.)
인화점: 197 °F · 197 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름(소량으로 용해), 메탄올(소량으로 용해)
물리적 상태: 액체
산도 계수 (pKa): 14.26 · 14.26±0.10(Predicted)
Specific Gravity: 1.68 · 1.680
색상: 무색의
수용성: 클로로포름 및 메탄올과 혼합 가능. 물과 섞이지 않습니다.
BRN: 1992757 · 1992757
Henry's Law Constant: 3.3 · 3.3×10-4 mol/(m3Pa) at 25℃, Abusallout et al. (2022)
화장품 원료 기능: 분산형 비계면활성제유화 안정화가소제
InChI: 1S/C8H5F13O/c9-3(10,1-2-22)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h22H,1-2H2
InChIKey: GRJRKPMIRMSBNK-UHFFFAOYSA-N
SMILES: OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
EPA: 1 · 1-Octanol, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro- (647-42-7)

화학적 성질

CLEAR COLOURLESS LIQUID

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H373: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

P260, P273, P319, P391, and P501 (click each P-code to see the statement)

This chemical does not meet GHS hazard criteria for 5.4% (6 of 112) of reports.

Warning

H302 (32.1%): Harmful if swallowed [Warning Acute toxicity, oral]

유해성 정보

Regulatory Information · 5건

Chemical: 1-Octanol, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-

Hazard Traits - Bioaccumulation; Environmental Persistence

1-Octanol, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Octanol, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 24-08-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/5615

1-Octanol, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-: 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.

Other Safety InformationIMAP assessments - Indirect precursors to short-chain perfluorocarboxylic acids: Environment tier II assessment

Hazard Classes and Categories · 2건

Acute Tox. 4 (32.1%)

STOT RE 2

안전 데이터

wgk: 1
tsca: TSCA listed
ridadr: NA 1993 / PGIII
HS 번호: 29055900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39-24/25
위험 등급: IRRITANT
기존화학 물질: 2001-3-1740
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

Uses · 2건

• Detected in water proofing textile treatment [Ref: http://urn.kb.se/resolve?urn=urn:nbn:se:norden:org:diva-4901]

non-polymer PFAS -> Cleaning compositions -> Cleaning compositions in general

U.S. Production2023: 550,000 - <700,000 lb

Industry UsesIntermediate

Use Classification · 3건

PFAS (per- and polyfluoroalkyl substances) -> OECD Category

PFAS (n:2 fluorotelomer alcohols, n=3)

PFAS -> F-telomer alcohols (FTOH)

General Manufacturing Information · 2건

All Other Basic Organic Chemical Manufacturing

1-Octanol, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-: ACTIVE

응용 분야

용도1H,1H,2H,2H-Perfluoro-1-octanol is a material used to improve nanotube composites. It is also used in the synthesis of a recyclable fluorous hydrazine carbothioate compound with NCS to catalyz e the acetalization of aldehydes.

일반 설명1H,1H,2H,2H-Perfluoro-1-octanol is a fluorotelomer alcohol.