Cyclohexen-1-ol, 2-methyl-5-(1-methylethyl)-, 1-acetate
Basic information
- CAS
1335-18-8- Standard SMILES
CC(=O)OC1C(C)C=CCC1C(C)C- InChIKey
GMVRLXZSTVULKI-UHFFFAOYSA-N- Molecular formula
- C12H20O2
- Average molar mass
- 196.29 g/mol
- Monoisotopic mass
- 196.14632988
Names & identifiers
- Preferred name
- Cyclohexen-1-ol, 2-methyl-5-(1-methylethyl)-, 1-acetate
- IUPAC
- (2-methyl-6-propan-2-ylcyclohex-3-en-1-yl) acetate
- English name
- 5-(isopropyl)-2-methylcyclohexen-1-yl acetate
- Molecular formula
- C12H20O2
- Molecular weight
- 196.286
Names & synonyms
1335-18-8EINECS 215-623-5Cyclohexenol, 2-methyl-5-(1-methylethyl)-, acetateCyclohexen-1-ol, 2-methyl-5-(1-methylethyl)-, 1-acetateRefChem:1296545-(Isopropyl)-2-methylcyclohexen-1-yl acetate(2-methyl-6-propan-2-ylcyclohex-3-en-1-yl) acetate2-methyl-6-(propan-2-yl)cyclohex-3-en-1-yl acetateDTXSID60928150GMVRLXZSTVULKI-UHFFFAOYSA-N2-Methyl-5-(1-methylethyl)cyclohexen-1-ol acetateAcetic acid 5-isopropyl-2-methyl-1-cyclohexenyl ester
Database identifiers
- CAS
1335-18-8- PubChem CID
- 102608
- DTXSID
DTXSID60928150- EC Number
- 215-623-5
Properties
Computed structural properties
- XLogP
- 3.3
- 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
- 230
Physicochemical properties
- EPA Substance Registry System
- 2 · Cyclohexenol, 2-methyl-5-(1-methylethyl)-, acetate (1335-18-8)
- 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 InformationCyclohexen-1-ol, 2-methyl-5-(1-methylethyl)-, 1-acetate: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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