Basic information
- CAS
22607-13-2- Standard SMILES
CCC(O)C(O)c1ccccc1- InChIKey
WFSOUGZEVPHHSM-UHFFFAOYSA-N- Molecular formula
- C10H14O2
- Average molar mass
- 166.22 g/mol
- Monoisotopic mass
- 166.09937969
Names & identifiers
- Preferred name
- 1-Phenyl-1,2-butanediol
- IUPAC
- 1-phenylbutane-1,2-diol
- English name
- 1,2-Butanediol, 1-phenyl
- Molecular formula
- C10H14O2
- Molecular weight
- 166.22
Names & synonyms
1-Phenyl-1,2-butanediol22607-13-2RefChem:10562761-phenylbutane-1,2-diol1,2-Butanediol, 1-phenyl-1-Phenyl-1,2-butanediol #SCHEMBL6939841SCHEMBL11668588SCHEMBL11668590DTXSID40945264WFSOUGZEVPHHSM-UHFFFAOYSA-N1,2-BUTANEDIOL,1-PHENYL-
Show more names
1,2-Butanediol, 1-phenyl
Database identifiers
- CAS
22607-13-2- PubChem CID
- 31433
- DTXSID
DTXSID40945264- Nikkaji
- J129.331A
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 119
Physicochemical properties
- Boiling point
- 140 · 140-150 °C(Press: 10 Torr)
- Density
- 1.097 · 1.097±0.06 g/cm3(Predicted)
- pka
- 13.87 · 13.87±0.26(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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