1-Hexanol, 2,2,3,4,4,6,6,6-octafluoro-3,5,5-tris(trifluoromethyl)-
Basic information
- CAS
232267-34-4- Standard SMILES
OCC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F- InChIKey
OZJOKWZATUYTID-UHFFFAOYSA-N- Molecular formula
- C9H3F17O
- Average molar mass
- 450.09 g/mol
- Monoisotopic mass
- 449.9912435
Names & identifiers
- Preferred name
- 1-Hexanol, 2,2,3,4,4,6,6,6-octafluoro-3,5,5-tris(trifluoromethyl)-
- IUPAC
- 2,2,3,4,4,6,6,6-octafluoro-3,5,5-tris(trifluoromethyl)hexan-1-ol
- English name
- 1H,1H-Perfluoro-3,5,5-trimethyl-1-hexanol
- Molecular formula
- C9H3F17O
- Molecular weight
- 450.09
Names & synonyms
1-Hexanol, 2,2,3,4,4,6,6,6-octafluoro-3,5,5-tris(trifluoromethyl)-RefChem:4330242,2,3,4,4,6,6,6-octafluoro-3,5,5-tris(trifluoromethyl)-1-hexanol689-328-9232267-34-41H,1H-Perfluoro(3,5,5-trimethylhexan-1-ol)2,2,3,4,4,6,6,6-octafluoro-3,5,5-tris(trifluoromethyl)hexan-1-olMFCD01320737SCHEMBL5704705DTXSID30380044OZJOKWZATUYTID-UHFFFAOYSA-NPerfluoro-3,5,5-trimethylhexan-1-ol
Show more names
1H,1H-Perfluoro-3,5,5-trimethyl-1-hexanol2,2,3,4,4,6,6,6-Octafluoro-3,5,5-tris(trifluoromethyl)hexan-1-ol, 6-Hydroxy-1,1,1,3,3,4,5,5-octafluoro-2,2,4-tris(trifluoromethyl)hexane
NS000188611H,1H-Heptadecafluoro(3,5,5-trimethylhexan-1-ol)1H,1H-PERFLUORO-3,5,5'-TRIMETHYLHEXAN-1-OL
Database identifiers
- CAS
232267-34-4- PubChem CID
- 2776397
- DTXSID
DTXSID30380044- EC Number
- 689-328-9
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 497
Experimental & physicochemical properties
PFAS
PFAS -> OECD Category
PFAS -> Other/unspecified
PFAS -> Other/unspecified
Physicochemical properties
- Boiling point
- 52 °C · 52°C 0,1mm
- Density
- 1.681 · 1.681±0.06 g/cm3(Predicted)
- pka
- 12.76 · 12.76±0.10(Predicted)
- EPA Substance Registry System
- 1 H,1H-Perfluoro · 1H,1H-Perfluoro(3,5,5-trimethylhexan-1-ol) (232267-34-4)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 29055900 · 29055900
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
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
- 29055900
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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