3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluordecan-1-ol

1,1,2,2-Tetrahydroperfluoro-1-decanol

HCID 69619CAS 678-39-7

Grundinformationen

Standard-SMILES
OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIKey
JJUBFBTUBACDHW-UHFFFAOYSA-N
Summenformel
C10H5F17O
Durchschnittliche Molmasse
464,12 g/mol
Monoisotopische Masse
464,00689452

Überblick

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-decanol is a fluorotelomer alcohol that is ethanol substituted at position 2 by a perfluorooctyl group. It is a primary alcohol and a fluorotelomer alcohol. It is functionally related to a decan-1-ol.

Namen und Bezeichner

Bevorzugter Name
1,1,2,2-Tetrahydroperfluoro-1-decanol
IUPAC
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-1-ol
Lokaler Name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluordecan-1-ol
Englischer Name
1H,1H,2H,2H-Perfluoro-1-decanol
Summenformel
C10H5F17O
Molmasse
464.12

Namen und Synonyme

1,1,2,2-Tetrahydroperfluoro-1-decanolRefChem:1113310678-39-71H,1H,2H,2H-Perfluoro-1-decanol3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecan-1-ol2-(Perfluoro-n-octyl)ethanol1H,1H,2H,2H-Perfluorodecan-1-ol8:2 fluorotelomer alcohol1H,1H,2H,2H-Heptadecafluoro-1-decanol1H,1H,2H,2H-Perfluorodecanol2-(perfluorooctyl)ethanol2-perfluorooctylethanol
Weitere Namen anzeigen
1,1,2,2-Tetrahydroperfluoro-1-Decanol/2-(Perfluorooctyl)Ethanol/1H,1H,2H,2H-Perfluorodecan-1-OlTEOH-8DAIKIN A-1820JACS-678-39-7uoro-1-decanoLperfluorooctyl ethanol
MFCD000395448:2 FTOH1-Decanol, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-Fluorotelomer alcohol 8:21,1,2,2-tetrahydroperfluorodecanol3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluoro-1-decanolDTXSID7029904UM7L66OFE1

Datenbank-Bezeichner

CAS
678-39-7
PubChem CID
69619
DTXSID
DTXSID7029904
ChEMBL
CHEMBL3183784
ChEBI
CHEBI:63919
UNII
UM7L66OFE1
EC Number
211-648-0
Nikkaji
J205.980K

Eigenschaften

Berechnete Struktureigenschaften

XLogP
5,7
Polarare Oberfläche (TPSA)
20,2 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
18
Frei drehbare Bindungen
8
Schwere Atome
28

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Halogenated Alcohols
PFAS · 6 Einträge

PFAS -> Other/unspecified

PFAS -> PFAS with analytical method available

PFAS

PFAS -> Identified in migrating and extractable food contact chemical data

PFAS -> Other/unspecified

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

LogP6.14
Endocrine DisruptorsPotential endocrine disrupting compound
Vapor Pressure · 2 Einträge

0.02 [mmHg]

0.48 ± 0.01 [log Psd at 298.15 K (Pa)]

Physical DescriptionWaxy solid; [ECHA - Proposal for Harmonised Classification and Labelling] White crystalline powder; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt
50 °C · 50 °C
Siedepunkt
113 °C · 113°C 10mm
Dichte
1.633 · 1.633±0.06 g/cm3(Predicted)
Flammpunkt
None
storage temp.
2 · 2-8°C
Löslichkeit
Soluble in chloroform and methanol.

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 96.5% (55 of 57) of all reports.

Not Classified

Aggregated GHS information provided per 57 reports by companies from 4 notifications to the ECHA C&L Inventory.

Warning

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

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

Gefahrenhinweise

Regulatory Information · 5 Einträge

Chemical: 1-Decanol, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-

Hazard Traits - Bioaccumulation; Environmental Persistence

S - indicates a substance that is identified in a final Significant New Use Rule.

Substance: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-1-ol

1-Decanol, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-: 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 perfluorooctanoic acid (PFOA): Environment tier II assessment
Hazards Summary · 1 Eintrag

PFOA (perfluorooctanoic acid) is the major mammalian metabolite; Adverse effects to liver (males at 25 mg/kg/day) and kidney (females at 125 mg/kg/day) observed in 90-day oral study of rats; No effects on fertility observed in oral study of rats (FTOH mixture containing 27% 8:2 FTOH); Developmental toxicity reported in rats in the presence of maternal toxicity; [ECHA - Proposal for Harmonised Classification and Labelling] May cause irritation; [Sigma-Aldrich MSDS]

Hazard Classes and Categories · 2 Einträge

Not Classified

Specific target organ toxicity - Repeated exposure - Category 2 (liver)

Toxikologische Informationen

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.

Sicherheitsdaten

wgk
1
tsca
TSCA listed
hs_code
29055900
hazard_code
Xi
safety_code
24/25
hazard_class
IRRITANT

Chemie und Industrie

Verwendung und Herstellung

Uses · 4 Einträge

Used to make surfactant and polymeric products with a range of commercial applications (may contain small amounts of residual unreacted material); The polymers are primarily used for coating textiles, paper, and carpet for oil, stain, and water repellency; [ECHA - RAC]

Pulp and Paper Processing [Category: Industry]

non-polymer PFAS -> Automotive -> Automotive waxes and polish

• Detected in dental floss [Ref: KEMI Swedish Chemical Agency. 2015b. Occurrence and Use of Highly Fluorinated Substances and Alternatives.]

Use Classification · 4 Einträge

PFAS -> F-telomer alcohols (FTOH)

PFAS (n:2 fluorotelomer alcohols, n=4)

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

PFAS

General Manufacturing Information1-Decanol, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-: ACTIVE

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
常州新氟化学有限公司13275212658 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A fluorotelomer alcohol that is ethanol substituted at position 2 by a perfluorooctyl group.

Zugehörige Reaktionen

8

Verknüpfte Notizen

Wird geladen…