(3S)-hexan-3-ol
Basic information
- CAS
6210-51-1- Standard SMILES
CCC[C@@H](O)CC- InChIKey
ZOCHHNOQQHDWHG-LURJTMIESA-N- Molecular formula
- C6H14O
- Average molar mass
- 102.17 g/mol
- Monoisotopic mass
- 102.10446507
Names & identifiers
- Preferred name
- (3S)-hexan-3-ol
- IUPAC
- (3S)-hexan-3-ol
- English name
- (S)-hexan-3-ol
- Molecular formula
- C6H14O
- Molecular weight
- 102.17
Names & synonyms
(3S)-hexan-3-ol6210-51-1DTXSID40348539RefChem:1050307DTXCID20299611(s)-hexan-3-olHexan-3S-olSCHEMBL1462441SCHEMBL4349610ZOCHHNOQQHDWHG-LURJTMIESA-NLMFA05000463EN300-6762808
Show more names
3-Hexanol, (3S)-
Database identifiers
- CAS
6210-51-1- PubChem CID
- 638098
- DTXSID
DTXSID40348539- Nikkaji
- J59.082G
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 35.2
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty alcohols [FA05]
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 130 · 130-133 °C(Press: 745 Torr)
- Density
- 0.814 · 0.814±0.06 g/cm3(Predicted)
- pka
- 15.31 · 15.31±0.20(Predicted)
- LogP
- 1.754 · 1.754 (est)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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