Basic information
- CAS
6189-00-0- Standard SMILES
OC(C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F- InChIKey
XPKCRLYGJRILBY-UHFFFAOYSA-N- Molecular formula
- C7HF15O
- Average molar mass
- 386.06 g/mol
- Monoisotopic mass
- 385.9787871
Names & identifiers
- Preferred name
- 1,1,1,2,2,4,4,5,5,5-Decafluoro-3-(1,1,2,2,2-pentafluoroethyl)-3-pentanol
- IUPAC
- 1,1,1,2,2,4,4,5,5,5-decafluoro-3-(1,1,2,2,2-pentafluoroethyl)pentan-3-ol
- English name
- 1,1,1,2,2,4,4,5,5,5-DECAFLUORO-3-(PENTAFLUOROETHYL)PENTANE-3-OL
- Molecular formula
- C7HF15O
- Molecular weight
- 386.06
Names & synonyms
6189-00-01,1,1,2,2,4,4,5,5,5-Decafluoro-3-(1,1,2,2,2-Pentafluoroethyl)-3-PentanolRefChem:1051641Perfluorotriethylcarbinol1,1,1,2,2,4,4,5,5,5-decafluoro-3-(1,1,2,2,2-pentafluoroethyl)pentan-3-ol1,1,1,2,2,4,4,5,5,5-DECAFLUORO-3-(PENTAFLUOROETHYL)PENTANE-3-OLTris(pentafluoroethyl)methanol3-Pentafluoroethyldecafluoro-3-pentanolBRN 1890352Methanol, tris(pentafluoroethyl)-1,1,1,2,2,4,4,5,5,5-decafluoro-3-(pentafluoroethyl)pentan-3-olSCHEMBL1972041
Show more names
tris(pentafluoroethyl)-methano1,1,1,2,2,4,4,5,5,5-decafluoro-3-pentafluoroethyl-pentan-3-ol3-Pentanol,1,1,1,2,2,4,4,5,5,5-decafluoro-3-(1,1,2,2,2-pentafluoroethyl)-
DTXSID00210900XPKCRLYGJRILBY-UHFFFAOYSA-NAKOS017345020NS00011154
Database identifiers
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 372
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> OECD Category
Physicochemical properties
- Boiling point
- 104 · 104-105 °C
- Density
- 1.726 · 1.726±0.06 g/cm3(Predicted)
- pka
- 7.01 · 7.01±0.29(Predicted)
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- Perfluorotriethylcarbinol (6189-00-0)
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
Suppliers2 total
Alfa Chemistry+1-5166625404 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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