Basic information
- CAS
33442-47-6- Standard SMILES
CC[C@H](CO)c1ccccc1- InChIKey
DNHNBMQCHKKDNI-SECBINFHSA-N- Molecular formula
- C10H14O
- Average molar mass
- 150.22 g/mol
Names & identifiers
- Preferred name
- (S)-beta-ethyl benzeneethanol
- IUPAC
- (2S)-2-phenylbutan-1-ol
- English name
- (2S)-2-Phenyl-1-butanol
- Molecular formula
- C10H14O
- Molecular weight
- 150.22
Names & synonyms
(+)-(s)-2-phenylbutanol(S)-beta-ethyl benzeneethanolSCHEMBL2339413(S)-2-phenylbutan-1-ol(S)-1-Phenyl-2-butanol(S)-2-Phenyl-1-butanol(2S)-2-Phenyl-1-butanol(1S)-1-Benzyl-1-propanol[S,(+)]-β-Ethylphenethyl alcohol
Database identifiers
- CAS
33442-47-6- Nikkaji
- J78.326I
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 95
Physicochemical properties
- Boiling point
- 234.999 · 234.999±0.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.978 · 0.978±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.793 · 14.793±0.10(predicted)
Chemistry & industry
Suppliers1 total
石家庄州昆医药科技有限公司0311-83784138 18633934202 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…