(4E)-4-(4-Methyl-3-cyclohexen-1-ylidene)pentanal
Basic information
- CAS
32540-03-7- Standard SMILES
CC1=CC/C(=C(\C)CCC=O)CC1- InChIKey
DIXPNXMCGXWBQL-QXMHVHEDSA-N- Molecular formula
- C12H18O
- Average molar mass
- 178.27 g/mol
- Monoisotopic mass
- 178.13576519
Names & identifiers
- Preferred name
- (4E)-4-(4-Methyl-3-cyclohexen-1-ylidene)pentanal
- IUPAC
- (4E)-4-(4-methylcyclohex-3-en-1-ylidene)pentanal
- English name
- Pentanal, 4-(4-methyl-3-cyclohexen-1-ylidene)-
- Molecular formula
- C12H18O
- Molecular weight
- 178.27
Names & synonyms
Pentanal, 4-(4-methyl-3-cyclohexen-1-ylidene)-, (4E)-53585-11-8DTXSID00886063RefChem:1050477DTXCID301025408(4E)-4-(4-Methyl-3-cyclohexen-1-ylidene)pentanal32540-03-74-(4-Methyl-3-cyclohexen-1-ylidene)pentanal(4E)-4-(4-methylcyclohex-3-en-1-ylidene)pentanalPentanal, 4-(4-methyl-3-cyclohexen-1-ylidene)-SCHEMBL4119500DIXPNXMCGXWBQL-QXMHVHEDSA-N
Database identifiers
- CAS
32540-03-7、53585-11-8- PubChem CID
- 6504440
- DTXSID
DTXSID00886063- Nikkaji
- J1.572.209F
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Boiling point
- 274.2 · 274.2±9.0 °C(Predicted)
- Density
- 0.938 · 0.938±0.06 g/cm3(Predicted)
- Odor
- 10 % · at 10.00 % in dipropylene glycol. floral lily of the valley
- Odor Type
- floral
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 3.949 · 3.949 (est)
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 Information
Chemical: Pentanal, 4-(4-methyl-3-cyclohexen-1-ylidene)-
Chemical: Pentanal, 4-(4-methyl-3-cyclohexen-1-ylidene)-, (E)-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Pentanal, 4-(4-methyl-3-cyclohexen-1-ylidene)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPentanal, 4-(4-methyl-3-cyclohexen-1-ylidene)-, (4E)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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