Basic information
- CAS
110823-68-2- Standard SMILES
C=CC1(C)CCC(C(=C)C)CC1C(=C)C- InChIKey
OPFTUNCRGUEPRZ-UHFFFAOYSA-N- Molecular formula
- C15H24
- Average molar mass
- 204.35 g/mol
- Monoisotopic mass
- 204.18780077
Overview
β-elemene has been reported in Lippia, Artemisia princeps, and other organisms with data available.
Names & identifiers
- Preferred name
- Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1R,2R,4S)-rel-
- IUPAC
- 1-ethenyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane
Names & synonyms
1-ethenyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexaneCyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1R,2R,4S)-rel-33880-83-0RefChem:335199EINECS 251-713-0(-)-cis-beta-Elemene(- )-bete-elemeneSCHEMBL61905Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1alpha,2beta,4beta)-DTXSID801034870EBC-12546s6957
Show more names
EN300-2963391-methyl-1-vinyl-2,4-diisopropenyl-cyclohexane2,4-diisopropenyl-1-me-thyl-1-vinyl-cyclohexane2,4-Diisopropenyl-1-methyl-1-vinylcyclohexane #1-Ethenyl-1-methyl-2,4-bis(1-methylethenyl)cyclohexane
Database identifiers
- CAS
110823-68-2、33880-83-0- PubChem CID
- 10583
- DTXSID
DTXSID801034870- EC Number
- 251-713-0
- Nikkaji
- J1.429.750B
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 284
Experimental & physicochemical properties
FragrancesFragrance Ingredient (Cyclohexane, 1-_ethenyl-_1-_methyl-_2,_4-_bis(1-_methylethenyl)_-_, (1R,_2R,_4S)_-_rel-) -> IFRA transparency List
Chemistry & industry
Uses & manufacturing
Use ClassificationFragrance Ingredients
General Manufacturing InformationCyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1R,2R,4S)-rel-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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