3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoroctan-1-ol

3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-ol

HCID 69537CAS 647-42-7
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIKey
GRJRKPMIRMSBNK-UHFFFAOYSA-N
Summenformel
C8H5F13O
Durchschnittliche Molmasse
364,1 g/mol
Monoisotopische Masse
364,01328164

Namen und Bezeichner

Bevorzugter Name
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
Lokaler Name
3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoroctan-1-ol
Englischer Name
1H,1H,2H,2H-Perfluoro-1-octanol
Summenformel
C8H5F13O
Molmasse
364.1

Namen und Synonyme

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
Weitere Namen anzeigen
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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP
4,4
Polarare Oberfläche (TPSA)
20,2 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
14
Frei drehbare Bindungen
6
Schwere Atome
22

Experimentelle und physikochemische Eigenschaften

PFAS · 6 Einträge

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

Physikochemische Eigenschaften

Schmelzpunkt
-35 °C · -35 °C
Siedepunkt
88 · 88-95 °C28 mm Hg(lit.)
Dichte
1.651 g/mL · 1.651 g/mL at 25 °C(lit.)
Brechungsindex
20 · n20/D 1.313(lit.)
Flammpunkt
197 °F · 197 °F
storage temp.
Keep in dark place,Sealed in dry,Room Temperature

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

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]

Gefahrenhinweise

Regulatory Information · 5 Einträge

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 Einträge

Acute Tox. 4 (32.1%)

STOT RE 2

Sicherheitsdaten

wgk
1
tsca
TSCA listed
ridadr
NA 1993 / PGIII
hs_code
29055900
risk_code
36/37/38
hazard_code
Xi

Chemie und Industrie

Verwendung und Herstellung

Uses · 2 Einträge

• 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 Einträge

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

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

PFAS -> F-telomer alcohols (FTOH)

General Manufacturing Information · 2 Einträge

All Other Basic Organic Chemical Manufacturing

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

Anwendungen

Verwenden1H,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.

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