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

名称と識別子

優先名称: 2,2,3,3,4,4,5,5-Octafluoro-1-pentanol
IUPAC: 2,2,3,3,4,4,5,5-octafluoropentan-1-ol
現地名: 2,2,3,3,4,4,5,5-オクタフルオロ-1-ペンタノール
英語名: 2,2,3,3,4,4,5,5-Octafluoro-1-pentanol
分子式: C5H4F8O
分子量: 232.07

名称と別名

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

名称をさらに表示

2,2,3,3,4,4,5,5-オクタフルオロ-1-ペンタノール1,1,5-トリヒドロペルフルオロペンタノール1H,1H,5H-オクタフルオロペンタノール2,2,3,3,4,4,5,5-オクタフルオロペンタン-1-オール1,1,5-トリヒドロパーフルオロペンタノール2,2,3,3,4,4,5,5-オクタフルオロペンタノ-ル1H,1H,5H-オクタフルオロ-1-ペンタノール1H,1H,5H-オクタフルオロ-1-ペンタノール, 98%1H,1H,5H-オクタフルオロ-1-ペンタノール, min. 98%2,2,3,3,4,4,5,5-オクタフルオロペンタノールOCTAFLUORO-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)

データベース識別子

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

物性

構造計算による物性

XLogP: 2.4
極性表面積: 20.2 Å²
水素結合供与体数: 1
水素結合受容体数: 9
回転可能結合数: 4
重原子数: 14
形式電荷: 0
複雑度: 200

実験および物理化学的性質

Chemical ClassesOther Classes -> Halogenated Alcohols

PFAS · 6 件

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]

物理化学的性質

融点: -50 °C · <-50°C
沸点: 141 · 141-142 °C (lit.)
比重(密度): 1.667 g/mL · 1.667 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.318(lit.)
闪点: 168 °F · 168 °F
貯蔵温度: 2 · 2-8°C
外見: 液体
酸解離定数(Pka): 12.91 · 12.91±0.10(Predicted)
比重: 1.667 · 1.667
色: 無色
水溶解度: 不溶性
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
CAS データベース: 355 · 355-80-6(CAS DataBase Reference)
NISTの化学物質情報: 1 · 1-Pentanol, 2,2,3,3,4,4,5,5-octafluoro-(355-80-6)
EPAの化学物質情報: 1 · 1-Pentanol, 2,2,3,3,4,4,5,5-octafluoro- (355-80-6)

化学的性質

化学的特性CLEAR COLOURLESS LIQUID

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Regulatory Information · 3 件

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 · 1 件

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%)

毒性情報

Adverse EffectsNeurotoxin - Acute solvent syndrome

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

安全データ

wgk: 3
tsca: TSCA listed
rtecs: SA7650000
毒性: LCLo ihl-rat: 2500 ppm/4H JOCMA7 4,262,62
hs_code: 29055910
risk_code: 36/37/38
化審法: (2)-285
hazard_code: Xi,F
hazard_note: Flammable
safety_code: 26-37/39
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

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

Use Classification · 2 件

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

応用分野 · 2 件

用途有機合成原料。

使用2,2,3,3,4,4,5,5-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.