2,2,3,3,4,4,5,5-Octafluoro-1-pentanol (HCID 9641)

이름 및 식별자

우선 이름: 2,2,3,3,4,4,5,5-Octafluoro-1-pentanol
IUPAC: 2,2,3,3,4,4,5,5-octafluoropentan-1-ol
현지명: 2,2,3,3,4,4,5,5-옥타플루오로펜탄올
영어명: 2,2,3,3,4,4,5,5-Octafluoro-1-pentanol
분자식: C5H4F8O
분자량: 232.07

이름 및 동의어

355-80-62,2,3,3,4,4,5,5-Octafluoro-1-pentanol2,2,3,3,4,4,5,5-Octafluoropentan-1-ol1H,1H,5H-Octafluoro-1-pentanol1,1,5-Trihydrooctafluoropentyl alcohol1,1,5-Trihydrooctafluoropentan-1-ol1-PENTANOL, 2,2,3,3,4,4,5,5-OCTAFLUORO-2,2,3,3,4,4,5,5-OctafluoropentanolNSC 1141h,1h,5h-octafluoropentanolEINECS 206-593-42,2,3,3,4,4,5,5-Octafluoropentyl alcohol

이름 더 보기

2,2,3,3,4,4,5,5-옥타플루오로-1-펜탄올2,2,3,3,4,4,5,5-옥타플루오로펜탄올OCTAFLUORO-1-PENTANOL5H 4:1 FTOH1-Pentanol, 2,2,3,3,4,4,5,5-octafluorouoro-1-pentanoLEight F-pentanol2,2,3,3,4,4,5,5-OCTAF2,2,3,3,4,4,5,5-OctafL1,1,5H-perfluoropentanol

BRN 1773494D05K8EJX151,1,5-trihydroperfluoropentanolalpha,alpha,omega-TrihydroperfluoropentanolAI3-23780NSC-114.alpha.,.alpha.,.omega.-Trihydroperfluoropentanol4-01-00-01648 (Beilstein Handbook Reference)

데이터베이스 식별자

CAS: 355-80-6
PubChem CID: 9641
DTXSID: DTXSID0059879
ChEMBL: CHEMBL4513664
UNII: D05K8EJX15
EC Number: 206-593-4
Nikkaji: J10.710G

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 9
회전 가능 결합 수: 4
무거운 원자 수: 14
형식 전하: 0
복잡도: 200

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Halogenated Alcohols

PFAS · 6건

PFAS -> Fluorotelomers

PFAS -> OECD Category

PFAS -> Other/unspecified

PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008

SpringerMaterials PropertiesDielectric constant

Physical DescriptionLiquid; [Merck Index] Colorless liquid; [Alfa Aesar MSDS]

Collision Cross Section124.5 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: PFAS]

물리화학적 성질

녹는점: -50 °C · <-50°C
끓는 점: 141 · 141-142 °C (lit.)
밀도: 1.667 g/mL · 1.667 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.318(lit.)
인화점: 168 °F · 168 °F
저장 조건: 2 · 2-8°C
물리적 상태: 액체
산도 계수 (pKa): 12.91 · 12.91±0.10(Predicted)
Specific Gravity: 1.667 · 1.667
색상: 무색의
수용성: 불용성
Merck: 14 · 14,6746
BRN: 1773494 · 1773494
Henry's Law Constant: 2.5 · 2.5×10-1 mol/(m3Pa) at 25℃, I. et al. (1999)
InChI: 1S/C5H4F8O/c6-2(7)4(10,11)5(12,13)3(8,9)1-14/h2,14H,1H2
InChIKey: JUGSKHLZINSXPQ-UHFFFAOYSA-N
SMILES: OCC(F)(F)C(F)(F)C(F)(F)C(F)F
NIST: 1 · 1-Pentanol, 2,2,3,3,4,4,5,5-octafluoro-(355-80-6)
EPA: 1 · 1-Pentanol, 2,2,3,3,4,4,5,5-octafluoro- (355-80-6)

화학적 성질

CLEAR COLOURLESS LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (90.6%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 64 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: 1-Pentanol, 2,2,3,3,4,4,5,5-octafluoro-

Status: Active Update: 18-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23611

2,2,3,3,4,4,5,5-Octafluoro-1-pentanol: Does not have an individual approval but may be used under an appropriate group standard

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

Hazards Summary · 1건

Causes general anesthesia, somnolence, and muscle weakness in inhalation lethal-concentration studies of rats; [RTECS] A skin and strong eye irritant; [Alfa Aesar MSDS] See 1,1,1-Tribromo-2-methyl-2-propanol. See 2,2,3,3,4,4,4-Heptafluoro-1-butanol.

Hazard Classes and CategoriesSkin Irrit. 2 (90.6%)

독성 정보

Adverse EffectsNeurotoxin - Acute solvent syndrome

Toxicity DataLCLo (rat) = 2,500 ppm/4hr

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: SA7650000
독성: LCLo ihl-rat: 2500 ppm/4H JOCMA7 4,262,62
HS 번호: 29055910
risk_code: 36/37/38
hazard_code: Xi,F
safety_code: 26-37/39
기존화학 물질: 97-3-45
위험 참고 사항: Flammable
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

UsesUsed to introduce fluoroalkyl groups into organic molecules; [Merck Index]

Use Classification · 2건

PFAS -> F-telomer alcohols (FTOH)

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

General Manufacturing Information1-Pentanol, 2,2,3,3,4,4,5,5-octafluoro-: ACTIVE

응용 분야 · 1건

용도2,2,3,3,4,4,5,5-Octafluoro-1-pentanol is used as a cosurfactant in the synthesis of silver and silver iodide nanocrystals. It was also used in the synthesis of Ag2S nanocrystals with a characteristic surface plasmon resonance absorption at 330nm.