Basic information
- CAS
647-42-7- 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- Molecular formula
- C8H5F13O
- Average molar mass
- 364.1 g/mol
- Monoisotopic mass
- 364.01328164
Names & identifiers
- Preferred 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
- English name
- 1H,1H,2H,2H-Perfluoro-1-octanol
- Molecular formula
- C8H5F13O
- Molecular weight
- 364.1
Names & synonyms
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
Show more names
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
Database identifiers
- CAS
647-42-7- PubChem CID
- 69537
- DTXSID
DTXSID5044572
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 395
Experimental & physicochemical properties
PFAS
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
Physicochemical properties
- Melting point
- -35 °C · -35 °C
- Boiling point
- 88 · 88-95 °C28 mm Hg(lit.)
- Density
- 1.651 g/mL · 1.651 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.313(lit.)
- RTECS
- 1460000 · RH1460000
- Flash point
- 197 °F · 197 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Chloroform (Sparingly), Methanol (Sparingly)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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]
Hazard information
Regulatory Information
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
Acute Tox. 4 (32.1%)
STOT RE 2
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Chemistry & industry
Uses & manufacturing
Uses
• 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
PFAS (per- and polyfluoroalkyl substances) -> OECD Category
PFAS (n:2 fluorotelomer alcohols, n=3)
PFAS -> F-telomer alcohols (FTOH)
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
1-Octanol, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-: ACTIVE
Applications
Uses1H,1H, 2H, 2H-Tridecafluoro-1-n-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 catalyze the acetalization of aldehydes.
Uses1H,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.
General Description1H,1H,2H,2H-Perfluoro-1-octanol is a fluorotelomer alcohol.
Upstream & downstream products
Upstream raw materials
Related reactions
15 records
Compound notes
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