Basic information
- CAS
16486-96-7- Standard SMILES
O=C(O)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)(C(F)(F)F)C(F)(F)F- InChIKey
CQXLVCXAWBBSDD-UHFFFAOYSA-N- Molecular formula
- C13HF25O2
- Average molar mass
- 664.1 g/mol
- Monoisotopic mass
- 663.9577333
Names & identifiers
- Preferred name
- Docosafluoro-11-(trifluoromethyl)lauric acid
- IUPAC
- 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-docosafluoro-11-(trifluoromethyl)dodecanoic acid
- English name
- docosafluoro-11-(trifluoromethyl)dodecanoic acid
- Molecular formula
- C13HF25O2
- Molecular weight
- 664.11
Names & synonyms
16486-96-7Docosafluoro-11-(trifluoromethyl)lauric acidDocosafluoro-11-(trifluoromethyl)dodecanoic acid2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-docosafluoro-11-(trifluoromethyl)dodecanoic acidDTXSID2066064Perfluoro-11-(trifluoromethyl)dodecanoic acidDodecanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-docosafluoro-11-(trifluoromethyl)-RefChem:1113531240-545-3EINECS 240-545-3Dodecanoic acid, docosafluoro-11-(trifluoromethyl)-NS00011269
Database identifiers
- CAS
16486-96-7- PubChem CID
- 85449
- DTXSID
DTXSID2066064- EC Number
- 240-545-3
- Nikkaji
- J283.085J
Properties
Computed structural properties
- XLogP
- 8.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 27
- Rotatable bonds
- 10
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 952
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> OECD Category
PFAS -> Other/unspecified
PFAS -> Other/unspecified
Physicochemical properties
- Melting point
- 88 · 88-89 °C
- Boiling point
- 253.5 · 253.5±35.0 °C(Predicted)
- Density
- 1.773 · 1.773±0.06 g/cm3(Predicted)
- pka
- 0.52 · 0.52±0.10(Predicted)
- EPA Substance Registry System
- -11 · Docosafluoro-11-(trifluoromethyl)lauric acid (16486-96-7)
- TSCA
- TSCA listed
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 InformationS - indicates a substance that is identified in a final Significant New Use Rule.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing InformationDodecanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-docosafluoro-11-(trifluoromethyl)-: INACTIVE
Suppliers1 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…