CAS 647-42-7 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-ol (HCID 69537)

名称と識別子

優先名称: 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
現地名: 1H,1H,2H,2H-トリデカフルオロ-1-n-オクタノール
英語名: 1H,1H,2H,2H-Perfluoro-1-octanol
分子式: C8H5F13O
分子量: 364.1

名称と別名

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

名称をさらに表示

1H,1H,2H,2H-トリデカフルオロ-1-n-オクタノール2-(トリデカフルオロヘキシル)エタノール3,3,4,4,5,5,6,6,7,7,8,8,8-トリデカフルオロ-1-オクタノール3,3,4,4,5,5,6,6,7,7,8,8,8-トリデカフルオロオクタン-1-オール3,3,4,4,5,5,6,6,7,7,8,8,8-トリデカフルオロオクチルアルコール2-(ペルフルオロ-N-ヘキシル)エタノル2-(パーフルオロヘキシル)エタノール2-(ペルフルオロヘキシル)エタノール1H,1H,2H,2H-パーフルオロオクタン-1-オール1H,1H,2H,2H-パーフルオロ-1-オクタノール1H,1H,2H,2H-パーフルオロオクタノール1H,1H,2H,2H-パーフルオロオクタン-1-オール, min. 97%perfluorohexyl 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

データベース識別子

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

物性

構造計算による物性

XLogP: 4.4
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: 14
回転可能結合数: 6
重原子数: 22
形式電荷: 0
複雑度: 395

実験および物理化学的性質

PFAS · 6 件

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

物理化学的性質

融点: -35 °C · -35 °C
沸点: 88 · 88-95 °C28 mm Hg(lit.)
比重(密度): 1.651 g/mL · 1.651 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.313(lit.)
闪点: 197 °F · 197 °F
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: クロロホルム（少量）、メタノール（少量）
外見: 液体
酸解離定数(Pka): 14.26 · 14.26±0.10(Predicted)
比重: 1.68 · 1.680
色: 無色
水溶解度: クロロホルムおよびメタノールと混和します。水と混和しない。
BRN: 1992757 · 1992757
Henry's Law Constant: 3.3 · 3.3×10-4 mol/(m3Pa) at 25℃, Abusallout et al. (2022)
化粧品成分の機能: 分散性非界面活性剤乳化安定剤可塑剤
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
CAS データベース: 647 · 647-42-7(CAS DataBase Reference)
EPAの化学物質情報: 1 · 1-Octanol, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro- (647-42-7)

化学的性質

化学的特性CLEAR COLOURLESS LIQUID

安全と法規制

GHS分類

GHS Classification · 6 件

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]

危険有害性情報

Regulatory Information · 5 件

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 · 2 件

Acute Tox. 4 (32.1%)

STOT RE 2

安全データ

wgk: 1
tsca: TSCA listed
ridadr: NA 1993 / PGIII
hs_code: 29055900
risk_code: 36/37/38
化審法: (2)-2402
消防法: 危-4-3-III
hazard_code: Xi
safety_code: 26-37/39-24/25
hazard_class: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

Uses · 2 件

• 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 · 3 件

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

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

PFAS -> F-telomer alcohols (FTOH)

General Manufacturing Information · 2 件

All Other Basic Organic Chemical Manufacturing

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

応用分野

使用1H,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.

一般的な説明1H,1H,2H,2H-Perfluoro-1-octanol is a fluorotelomer alcohol.