Basic information
- CAS
62232-91-1- Standard SMILES
CCC(C)(O)C=Cc1ccccc1- InChIKey
BMZIBDNSLIDIFP-UHFFFAOYSA-N- Molecular formula
- C12H16O
- Average molar mass
- 176.25 g/mol
- Monoisotopic mass
- 176.12011513
Names & identifiers
- Preferred name
- 1-Penten-3-ol, 3-methyl-1-phenyl-
- IUPAC
- 3-methyl-1-phenylpent-1-en-3-ol
- English name
- 3-methyl-1-phenylpent-1-en-3-ol
- Molecular formula
- C12H16O
- Molecular weight
- 176.25
Names & synonyms
1-Penten-3-ol, 3-methyl-1-phenyl-62232-91-1Styryl methyl ethyl carbinolEINECS 263-469-2DTXSID80866924RefChem:435394DTXCID608151523-Methyl-1-phenylpent-1-en-3-olSCHEMBL71279211-Phenyl-3-methyl-1-penten-3-olDB-357144NS00055890
Show more names
3-Methyl-1-phenyl-1-penten-3-ol1-Phenyl-3-methyl-1-pentene-3-ol
Database identifiers
- CAS
62232-91-1- PubChem CID
- 112474
- DTXSID
DTXSID80866924- EC Number
- 263-469-2
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 168
Physicochemical properties
- Boiling point
- 95 °C · 95 °C(Press: 1 Torr)
- Density
- 0.993 · 0.993±0.06 g/cm3(Predicted)
- pka
- 14.75 · 14.75±0.29(Predicted)
- EPA Substance Registry System
- 1 · 1-Penten-3-ol, 3-methyl-1-phenyl- (62232-91-1)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 1-Penten-3-ol, 3-methyl-1-phenyl-
Other Safety InformationIMAP assessments - 1-Penten-3-ol, 3-methyl-1-phenyl-: Human health tier I assessment
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Penten-3-ol, 3-methyl-1-phenyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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