Basic information
- CAS
65104-65-6- 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)C(F)(F)C(F)(F)F- InChIKey
FDCQNVKWWMNRQN-UHFFFAOYSA-N- Molecular formula
- C18F37CH2CH2OH
- Average molar mass
- 964.2 g/mol
- Monoisotopic mass
- 963.9749568
Names & identifiers
- Preferred name
- 1-Eicosanol, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-heptatriacontafluoro-
- IUPAC
- 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-heptatriacontafluoroicosan-1-ol
Names & synonyms
65104-65-61-Eicosanol, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-heptatriacontafluoro-1,1,2,2-Tetrahydroperfluoroeicosyl alcohol2-(Perfluorooctadecyl)ethanolDTXSID20702193,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-HeptatriacontafluoroicosanolRefChem:432165265-437-33,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-heptatriacontafluoroicosan-1-ol18:2 Fluorotelomer alcoholEINECS 265-437-32-Perfluorooctadecanylethanol
Show more names
SCHEMBL2864296018:2 FTOHNS00010932
Database identifiers
- CAS
65104-65-6
Properties
Computed structural properties
- XLogP
- 12.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 38
- Rotatable bonds
- 18
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 1,470
Experimental & physicochemical properties
PFAS
PFAS -> non-polymer
PFAS -> Other/unspecified
PFAS -> Identified in migrating and extractable food contact chemical data
PFAS -> OECD Category
PFAS -> Other/unspecified
PFAS -> Other/unspecified
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
S - indicates a substance that is identified in a final Significant New Use Rule.
1-Eicosanol, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-heptatriacontafluoro-: 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.
Chemistry & industry
Uses & manufacturing
Uses
• 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.]
non-polymer PFAS -> Paper and packaging -> Food-contact articles
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing Information1-Eicosanol, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-heptatriacontafluoro-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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