2-Cyclopenten-1-one, 3-methyl-2-(phenylmethyl)-
Basic information
- CAS
13380-80-8- Standard SMILES
CC1=C(Cc2ccccc2)C(=O)CC1- InChIKey
CCXVNJKURYRXRY-UHFFFAOYSA-N- Molecular formula
- C13H14O
- Average molar mass
- 186.25 g/mol
- Monoisotopic mass
- 186.10446507
Names & identifiers
- Preferred name
- 2-Cyclopenten-1-one, 3-methyl-2-(phenylmethyl)-
- IUPAC
- 2-benzyl-3-methylcyclopent-2-en-1-one
- English name
- 2-benzyl-3-methylcyclopent-2-en-1-one
- Molecular formula
- C13H14O
- Molecular weight
- 186.25
Names & synonyms
2-Cyclopenten-1-one, 3-methyl-2-(phenylmethyl)-RefChem:4709762-Benzyl-3-methylcyclopent-2-en-1-one13380-80-8EINECS 236-454-33-Methyl-2-(phenylmethyl)-2-cyclopenten-1-oneB9UC8M32VKSCHEMBL9861098DTXSID60158374CCXVNJKURYRXRY-UHFFFAOYSA-N2-Benzyl-3-methyl-2-cyclopentenoneNS00024311
Database identifiers
- CAS
13380-80-8- PubChem CID
- 83392
- DTXSID
DTXSID60158374- UNII
- B9UC8M32VK
- EC Number
- 236-454-3
- Nikkaji
- J213.887E
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- Boiling point
- 120 · 120-131 °C(Press: 0.35 Torr)
- Density
- 1.077 · 1.077±0.06 g/cm3(Predicted)
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: 2-Cyclopenten-1-one, 3-methyl-2-(phenylmethyl)-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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