Terpinene 4-acetate
Basic information
- CAS
4821-04-9- Standard SMILES
CC(=O)OC1(C(C)C)CC=C(C)CC1- InChIKey
BFCBRSFYYLSTAA-UHFFFAOYSA-N- Molecular formula
- C12H20O2
- Average molar mass
- 196.29 g/mol
- Monoisotopic mass
- 196.14632988
Overview
1-Isopropyl-4-methylcyclohex-3-en-1-yl acetate is a p-menthane monoterpenoid.
Names & identifiers
- Preferred name
- Terpinene 4-acetate
- IUPAC
- (4-methyl-1-propan-2-ylcyclohex-3-en-1-yl) acetate
- English name
- 1-Terpinen-4-yl acetate
- Molecular formula
- C12H20O2
- Molecular weight
- 196.29
Names & synonyms
Terpinene 4-acetate4-TERPINENYL ACETATE4-Terpinyl acetate4-Terpineol acetate4821-04-9(4-methyl-1-propan-2-ylcyclohex-3-en-1-yl) acetate1-Terpinen-4-ol acetate3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl)-, acetatep-Menth-1-en-4-ol, acetate1-TERPINEN-4-YL ACETATE3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl)-, 1-acetate302N85584M
Show more names
Terpinene-4-acetate
DTXSID90884114EINECS 225-395-9(4,6,6-trimethyl-3-(2,6,6-trimethyl-3-(2,6,6-trimethyl-3-bicyclo(3.1.1)hept-1-enyl)-3-bicyclo(3.1.1)hept-1-enyl)-2-bicyclo(3.1.1)hept-4-enyl) acetate[4,6,6-trimethyl-3-[2,6,6-trimethyl-3-(2,6,6-trimethyl-3-bicyclo[3.1.1]hept-1-enyl)-3-bicyclo[3.1.1]hept-1-enyl]-2-bicyclo[3.1.1]hept-4-enyl] acetateRefChem:891476DTXCID001023584TERPINEN-4-OL ACETATETerpinene-4-yl acetate
Database identifiers
- CAS
4821-04-9- PubChem CID
- 20960
- DTXSID
DTXSID90884114- ChEBI
CHEBI:184320- UNII
- 302N85584M
- EC Number
- 225-395-9
- Nikkaji
- J187.039D
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
- 253
Physicochemical properties
- Boiling point
- 236.3 · 236.3±29.0 °C(Predicted)
- Density
- 0.95 · 0.95±0.1 g/cm3(Predicted)
- LogP
- 3.507 · 3.507 (est)
- FDA UNII
- 6 N2WP2RF7V · 6N2WP2RF7V
- EPA Substance Registry System
- 3 · 3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl)-, acetate (4821-04-9)
- 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.
Hazard information
Regulatory InformationChemical: 3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl)-, acetate
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl)-, 1-acetate: INACTIVE
Additional notes
DefinitionChEBI: 1-Isopropyl-4-methylcyclohex-3-en-1-yl acetate is a p-menthane monoterpenoid.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…