Cyclohexene, 4-ethenyl-4-methyl-3-(1-methylethenyl)-1-(1-methylethyl)-, (3R-trans)-
Basic information
- CAS
20307-84-0- Standard SMILES
C=CC1(C)CCC(C(C)C)=CC1C(=C)C- InChIKey
MXDMETWAEGIFOE-UHFFFAOYSA-N- Molecular formula
- C15H24
- Average molar mass
- 204.35 g/mol
- Monoisotopic mass
- 204.18780077
Overview
Cyclohexene, 4-ethenyl-4-methyl-3-(1-methylethenyl)-1-(1-methylethyl)-, (3R-trans)- is a sesquiterpenoid.
Names & identifiers
- Preferred name
- Cyclohexene, 4-ethenyl-4-methyl-3-(1-methylethenyl)-1-(1-methylethyl)-, (3R-trans)-
- IUPAC
- 4-ethenyl-4-methyl-1-propan-2-yl-3-prop-1-en-2-ylcyclohexene
- English name
- δ-elemene,(3R-trans)-4-ethenyl-4-methyl-3-(1-methylethenyl)-1-(1-methylethyl)-cyclohexene,(1S,2R)-(-)-2-isopropenyl-1-vinyl-p-menth-3-ene
- Molecular formula
- C15H24
- Molecular weight
- 204.35
Names & synonyms
Cyclohexene, 4-ethenyl-4-methyl-3-(1-methylethenyl)-1-(1-methylethyl)-, (3R-trans)-4-ethenyl-4-methyl-1-propan-2-yl-3-prop-1-en-2-ylcyclohexeneRefChem:108261720307-84-0p-Menth-3-ene, 2-isopropenyl-1-vinyl-, (1S,2R)-(-)-.delta.-EIemeneSCHEMBL14879709DTXSID00864301CHEBI:229436(3R,4R)-1-Isopropyl-4-methyl-3-(prop-1-en-2-yl)-4-vinylcyclohex-1-ene2-isopropenyl-1-vinyl-p-menth-3-eneCyclohexene, 4-ethenyl-4-methyl-3-(1-methylethenyl)-1-(1-methylethyl)-
Show more names
δ-elemenedelta-elemeneo-elemeneδ-elemene,(3R-trans)-4-ethenyl-4-methyl-3-(1-methylethenyl)-1-(1-methylethyl)-cyclohexene,(1S,2R)-(-)-2-isopropenyl-1-vinyl-p-menth-3-ene
3-Isopropenyl-1-isopropyl-4-methyl-4-vinyl-1-cyclohexene-, (3R,4R)-3-Isopropenyl-1-isopropyl-4-methyl-4-vinyl-1-cyclohexene-, (3R-trans)-4-Ethenyl-4-methyl-1-(propan-2-yl)-3-(prop-1-en-2-yl)cyclohex-1-ene(3R-trans)-4-ethenyl-4-methyl-3-(1-methylethenyl)-1-(1-methylethyl)cyclohexene4-ethenyl-4-methyl-3-(1-methylethenyl)-1-(1-methylethyl)-(3R-trans)-cyclohexeneCyclohexene, 4-ethenyl-4-methyl-3-(1-methylethenyl)-1-(1-methylethyl)-, (3R,4R)-delta-elemene,(3R-trans)-4-ethenyl-4-methyl-3-(1-methylethenyl)-1-(1-methylethyl)-cyclohexene,(1S,2R)-(-)-2-isopropenyl-1-vinyl-p-menth-3-ene
Database identifiers
- CAS
20307-84-0- PubChem CID
- 89316
- DTXSID
DTXSID00864301- ChEBI
CHEBI:229436
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 293
Experimental & physicochemical properties
Flavoring AgentsEU Flavoring substances
Physicochemical properties
- Boiling point
- 254.5 · 254.5±40.0 °C(Predicted)
- Density
- 0.87 · 0.870±0.06 g/cm3(Predicted)
- FLAVIS Number
- 1.039 · 01.039 | delta-Elemene
- Odor
- 100 % · at 100.00 %. sweet herbal woody
- Odor Type
- herbal
- LogP
- 6.446 · 6.446 (est)
- FDA UNII
- 1 U36PIU · CWB1U36PIU
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 InformationCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Related reactions
1 records
Compound notes
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