2-Phenylpent-3-enal
Basic information
- CAS
5729-50-0- Standard SMILES
C/C=C/C(C=O)c1ccccc1- InChIKey
ATYUEOYJIQYTAG-QHHAFSJGSA-N- Molecular formula
- C11H12O
- Average molar mass
- 160.21 g/mol
- Monoisotopic mass
- 160.088815
Names & identifiers
- Preferred name
- 2-Phenylpent-3-enal
- IUPAC
- (E)-2-phenylpent-3-enal
- English name
- 2-phenylpent-3-enal
- Molecular formula
- C11H12O
- Molecular weight
- 160.21
Names & synonyms
2-Phenylpent-3-enalEINECS 227-234-85729-50-0RefChem:265382227-234-8SCHEMBL7995898ATYUEOYJIQYTAG-QHHAFSJGSA-Nα-(1-Propenyl)benzeneacetaldehydeBenzeneacetaldehyde, α-1-propen-1-yl-
Database identifiers
- CAS
5729-50-0- PubChem CID
- 6437579
- EC Number
- 227-234-8
- Nikkaji
- J225.120E
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 154
Physicochemical properties
- Boiling point
- 247.407 · 247.407±9.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.98 · 0.980±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(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: Benzeneacetaldehyde, .alpha.-1-propenyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…