Basic information
- CAS
355-22-6- Standard SMILES
CC(C)(O)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
CZPWXOSMOFCBOR-UHFFFAOYSA-N- Molecular formula
- C6H7F7O
- Average molar mass
- 228.11 g/mol
- Monoisotopic mass
- 228.03851238
Names & identifiers
- Preferred name
- 3,3,4,4,5,5,5-Heptafluoro-2-methylpentan-2-ol
- IUPAC
- 3,3,4,4,5,5,5-heptafluoro-2-methylpentan-2-ol
- English name
- 3,3,4,4,5,5,5-Heptafluoro-2-methylpentan-2-ol
- Molecular formula
- C6H7F7O
- Molecular weight
- 228.11
Names & synonyms
3,3,4,4,5,5,5-heptafluoro-2-methylpentan-2-olRefChem:485110822-861-9355-22-63,3,4,4,5,5,5-Heptafluoro-2-methyl-2-pentanol2-Perfluoropropyl-2-propanolMFCD16619637SCHEMBL9293043DTXSID20337244AKOS007930538NS00109500EN300-1929064
Show more names
2-methyl-3,3,4,4,5,5,5-heptafluoro-pentan-2-ol2-Pentanol, 3,3,4,4,5,5,5-heptafluoro-2-methyl-3,3,4,4,5,5,5-Heptafluoro-2-methyl-2-pentanol #
Database identifiers
- CAS
355-22-6- PubChem CID
- 540479
- DTXSID
DTXSID20337244- EC Number
- 822-861-9
- Nikkaji
- J122.164G
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 217
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> OECD Category
Physicochemical properties
- Boiling point
- 108 °C · 108 °C
- Density
- 1.439 g/cm3 · 1.439 g/cm3
- pka
- 12.67 · 12.67±0.29(Predicted)
- form
- liquid
- color
- Colourless
- EPA Substance Registry System
- 2 · 2-Perfluoropropyl-2-propanol (355-22-6)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 · P280-P261-P271
- HS Code
- 2905190098 · 2905190098
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2905190098
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280-P261-P271
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
Upstream & downstream products
Upstream raw materials
Suppliers4 total
常州新氟化学有限公司13275212658 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
中科双航化学（大连）有限公司+86-411-66858498 13941194417 · [email protected]
Related reactions
2 records
Compound notes
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