Basic information
- CAS
72983-68-7- Standard SMILES
C=C(C)C1CC=C(C)C(CC=O)C1- InChIKey
HZRBBXZWSHOZKT-UHFFFAOYSA-N- Molecular formula
- C12H18O
- Average molar mass
- 178.27 g/mol
- Monoisotopic mass
- 178.13576519
Names & identifiers
- Preferred name
- 2-Cyclohexene-1-acetaldehyde, 2-methyl-5-(1-methylethenyl)-
- IUPAC
- 2-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)acetaldehyde
- English name
- 2-methyl-5-(1-methylvinyl)-2-cyclohexene-1-acetaldehyde
- Molecular formula
- C12H18O
- Molecular weight
- 178.27
Names & synonyms
72983-68-7EINECS 277-160-52-Cyclohexene-1-acetaldehyde, 2-methyl-5-(1-methylethenyl)-DTXSID708883372-(5-Isopropenyl-2-methyl-2-cyclohexen-1-yl)ethanalRefChem:470870DTXCID001027617SCHEMBL218895672-Methyl-5-(1-methylvinyl)-2-cyclohexene-1-acetaldehydeHZRBBXZWSHOZKT-UHFFFAOYSA-NNS00059941[2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-yl]acetaldehyde
Show more names
2-Methyl-5-(1-methylethenyl)-2-cyclohexene-1-acetaldehyde
Database identifiers
- CAS
72983-68-7- PubChem CID
- 175347
- DTXSID
DTXSID70888337- EC Number
- 277-160-5
- Nikkaji
- J296.440F
Properties
Computed structural properties
- XLogP
- 2.6
- 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
- 238
Physicochemical properties
- Boiling point
- 257.6 · 257.6±19.0 °C(Predicted)
- Density
- 0.899 · 0.899±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 2 · 2-Cyclohexene-1-acetaldehyde, 2-methyl-5-(1-methylethenyl)- (72983-68-7)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Cyclohexene-1-acetaldehyde, 2-methyl-5-(1-methylethenyl)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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