3-Cyclohexene-1-methanol, alpha,4-dimethyl-, 1-acetate
Basic information
- CAS
17916-91-5- Standard SMILES
CC(=O)OC(C)C1CC=C(C)CC1- InChIKey
MUAYHOYVOVZJFF-UHFFFAOYSA-N- Molecular formula
- C11H18O2
- Average molar mass
- 182.26 g/mol
- Monoisotopic mass
- 182.13067981
Names & identifiers
- Preferred name
- 3-Cyclohexene-1-methanol, alpha,4-dimethyl-, 1-acetate
- IUPAC
- 1-(4-methylcyclohex-3-en-1-yl)ethyl acetate
- English name
- 3-Cyclohexene-1-methanol, .alpha.,4-dimethyl-, acetate
- Molecular formula
- C11H18O2
- Molecular weight
- 182.26
Names & synonyms
DTXSID801227683RefChem:500773DTXCID9016589263-Cyclohexene-1-methanol, alpha,4-dimethyl-, acetate3-Cyclohexene-1-methanol, .alpha.,4-dimethyl-, acetate3-Cyclohexene-1-methanol, alpha,4-dimethyl-, 1-acetate17916-91-51-(4-methylcyclohex-3-en-1-yl)ethyl acetateMUAYHOYVOVZJFF-UHFFFAOYSA-N3-Cyclohexene-1-methanol, I+/-,4-dimethyl-, 1-acetateP-1-MENTHENYL-9-ACETATE1-PARA-MENTHEN-9-YLACETATE
Show more names
3-Cyclohexene-1-methanol, α,4-dimethyl-, 1-acetate
Database identifiers
- CAS
17916-91-5- PubChem CID
- 524261
- DTXSID
DTXSID801227683- Nikkaji
- J1.098.944B
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- FEMA
- 3566 · 3566 | 1-P-MENTHEN-9-YL ACETATE
- JECFA Number
- 972 · 972
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: 3-Cyclohexene-1-methanol, .alpha.,4-dimethyl-, acetate
3-Cyclohexene-1-methanol, .alpha.,4-dimethyl-, acetate: Does not have an individual approval but may be used under an appropriate group standard
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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