2-(4-Methyl-3-cyclohexen-1-yl)propenyl acetate
Basic information
- CAS
15593-88-1- Standard SMILES
CC(=O)OC=C(C)C1CC=C(C)CC1- InChIKey
CKITWLJZALNJDV-UHFFFAOYSA-N- Molecular formula
- C12H18O2
- Average molar mass
- 194.27 g/mol
- Monoisotopic mass
- 194.13067981
Names & identifiers
- Preferred name
- 2-(4-Methyl-3-cyclohexen-1-yl)propenyl acetate
- IUPAC
- 2-(4-methylcyclohex-3-en-1-yl)prop-1-enyl acetate
- English name
- 2-(4-methyl-3-cyclohexen-1-yl)propenyl acetate
- Molecular formula
- C12H18O2
- Molecular weight
- 194.27
Names & synonyms
2-(4-Methyl-3-cyclohexen-1-yl)propenyl acetate15593-88-1EINECS 239-672-7RefChem:252613239-672-72-(4-methylcyclohex-3-en-1-yl)prop-1-en-1-yl acetate2-(4-methylcyclohex-3-en-1-yl)prop-1-enyl acetateDTXSID60935329CKITWLJZALNJDV-UHFFFAOYSA-NNS00051477Acetic acid p-menthane-1,8-dien-9-yl ester1-Propen-1-ol, 2-(4-methyl-3-cyclohexen-1-yl)-, 1-acetate
Database identifiers
- CAS
15593-88-1- PubChem CID
- 85879
- DTXSID
DTXSID60935329- EC Number
- 239-672-7
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 274
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-Propen-1-ol, 2-(4-methyl-3-cyclohexen-1-yl)-, acetate
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
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Related reactions
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Compound notes
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