Basic information
- CAS
10198-23-9- Standard SMILES
C=C(C)C1CCC(C)(OC(C)=O)CC1- InChIKey
URVNHQCLMBMWIW-UHFFFAOYSA-N- Molecular formula
- C12H20O2
- Average molar mass
- 196.29 g/mol
- Monoisotopic mass
- 196.14632988
Overview
Beta-Terpinyl acetate is a p-menthane monoterpenoid.
Names & identifiers
- Preferred name
- Cyclohexanol, 1-methyl-4-(1-methylethenyl)-, acetate
- IUPAC
- (1-methyl-4-prop-1-en-2-ylcyclohexyl) acetate
- English name
- trans-1-methyl-4-(1-methylvinyl)cyclohexyl acetate
- Molecular formula
- C12H20O2
- Molecular weight
- 196.29
Names & synonyms
Cyclohexanol, 1-methyl-4-(1-methylethenyl)-, acetateRefChem:58062920777-47-3cis-.beta.-terpinyl acetate1-Methyl-4-(prop-1-en-2-yl)cyclohexyl acetateJV30N10OSL59632-85-85UD7JF4791Cyclohexanol, 1-methyl-4-(1-methylethenyl)-, acetate, cis-Cyclohexanol, 1-methyl-4-(1-methylethenyl)-, 1-acetate, trans-Cyclohexanol, 1-methyl-4-(1-methylethenyl)-, acetate, cis- (9CI)beta-Terpinyl acetate, cis-
Show more names
trans-1-methyl-4-(1-methylvinyl)cyclohexyl acetate1β-Methyl-4β-(1-methylethenyl)cyclohexan-1α-ol acetate
UNII-MOC5APT5THUNII-JV30N10OSLbeta-Terpinyl acetate, trans-UNII-5UD7JF4791cis-1-Methyl-4-(1-methylvinyl)cyclohexyl acetatecis-terpenyl acetateEINECS 244-028-3EINECS 261-828-8
Database identifiers
- CAS
10198-23-9、20777-47-3、59632-85-8- PubChem CID
- 88693
- DTXSID
DTXSID6051510- ChEBI
CHEBI:32327- UNII
- 5UD7JF4791、JV30N10OSL
- EC Number
- 244-028-3、261-828-8
- Nikkaji
- J225.330E、J298.193I、J629G
Properties
Computed structural properties
- XLogP
- 3.1
- 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
- 235
Experimental & physicochemical properties
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102]
Physicochemical properties
- Boiling point
- 237.333 · 237.333±29.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.945 · 0.945±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- LogP
- 3.692 · 3.692 (est)
- FDA UNII
- 30 N10OSL · JV30N10OSL
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: Cyclohexanol, 1-methyl-4-(1-methylethenyl)-, acetate
Other Safety InformationIMAP assessments - Cyclohexanol, 1-methyl-4-(1-methylethenyl)-, acetate: Environment tier I assessment
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Additional notes
DefinitionChEBI: Beta-Terpinyl acetate is a p-menthane monoterpenoid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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