Basic information
- CAS
65104-67-8- 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)C(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
UYSGWTCETIRUHO-UHFFFAOYSA-N- Molecular formula
- C16F33CH2CH2OH
- Average molar mass
- 864.2 g/mol
- Monoisotopic mass
- 863.9813441
Names & identifiers
- Preferred name
- 1-Octadecanol, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-tritriacontafluoro-
- IUPAC
- 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-tritriacontafluorooctadecan-1-ol
Names & synonyms
65104-67-81,1,2,2-Tetrahydroperfluoro-1-octadecanol16:2 Fluorotelomer alcohol1-Octadecanol, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-tritriacontafluoro-2-(Perfluorohexadecyl)ethanolDTXSID60702213,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-TritriacontafluorooctadecanolRefChem:1113328265-439-43,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-tritriacontafluorooctadecan-1-olEINECS 265-439-4n:2 FTOHs n=8
Show more names
SCHEMBL422846916:2 FTOH1h,1h,2h,2h-perfluorooctadecan-1-olNS00010930
Database identifiers
- CAS
65104-67-8- PubChem CID
- 103202
- DTXSID
DTXSID6070221
Properties
Computed structural properties
- XLogP
- 11.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 34
- Rotatable bonds
- 16
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,280
Experimental & physicochemical properties
PFAS
PFAS -> OECD Category
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> non-polymer
PFAS -> Identified in migrating and extractable food contact chemical data
PFAS (n:2 fluorotelomer alcohols, n=8)
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
S - indicates a substance that is identified in a final Significant New Use Rule.
1-Octadecanol, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-tritriacontafluoro-: 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.
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Chemistry & industry
Uses & manufacturing
Uses
non-polymer PFAS -> Paper and packaging -> Food-contact articles
• Detected in food contact materials [Ref: Trier, Xenia, Camilla Taxvig, Anna Kjerstine Rosenmai, and Gitte Alsing Pedersen. 2017. PFAS in Paper and Board for Food Contact - Options for Risk Management of Poly- and Perfluorinated Substances. Copenhagen, Denmark.]
Use Classification
PFAS (per- and polyfluoroalkyl substances) -> OECD Category
PFAS (n:2 fluorotelomer alcohols, n=8)
General Manufacturing Information1-Octadecanol, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-tritriacontafluoro-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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