1,4-Dimethyl-7-(prop-1-en-2-yl)-1,2,3,3a,4,5,6,7-octahydroazulene
Basic information
- CAS
22567-17-5- Standard SMILES
C=C(C)C1C=C2C(C)CCC2C(C)CC1- InChIKey
DUYRYUZIBGFLDD-UHFFFAOYSA-N- Molecular formula
- C15H24
- Average molar mass
- 204.35 g/mol
- Monoisotopic mass
- 204.18780077
Overview
Gamma-gurjunene is a sesquiterpene.
Names & identifiers
- Preferred name
- 1,4-Dimethyl-7-(prop-1-en-2-yl)-1,2,3,3a,4,5,6,7-octahydroazulene
- IUPAC
- 1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroazulene
- English name
- (+)-gamma-Gurjunene
- Molecular formula
- C15H24
- Molecular weight
- 204.35
Names & synonyms
(+)-gamma-Gurjunene1.beta.,4.beta.H,10.beta.H-Guaia-5,11-dieneAzulene, 1,2,3,3a,4,5,6,7-octahydro-1,4-dimethyl-7-(1-methylethenyl)-, [1R-(1.alpha.,3a.beta.,4.alpha.,7.beta.)]-EINECS 245-084-11,4-dimethyl-7-(prop-1-en-2-yl)-1,2,3,3a,4,5,6,7-octahydroazulene.gamma.-Gurjunene1,2,3,3a,4,5,6,7-octahydro-1,4-dimethyl-7-(1-methylethenyl)-azuleneSCHEMBL17627607DTXSID80275870CHEBI:178033(1R-(1alpha,3Abeta,4alpha,7beta))-1,2,3,3a,4,5,6,7-octahydro-7-isopropenyl-1,4-dimethylazulene915104-82-4
Show more names
γ-Gurjunene5,11-Guaiadiene(+)-GAMMA-GURJUNENE 97+%1beta,4betaH,10betaH-Guaia-5,11-diene7-Isopropenyl-1,4-dimethyl-1,2,3,3a,4,5,6,7-octahydroazulene(3R,6R,7R,10R)-6,10-DIMETHYL-3-ISOPROPENYL-BICYCLO[5.3.0]DEC-1-ENE(1R)-1,2,3,3aβ,4,5,6,7-Octahydro-1α,4α-dimethyl-7β-isopropenylazulene(1R)-1,2,3,3aβ,4,5,6,7-Octahydro-1α,4α-dimethyl-7β-(1-methylethenyl)azulene
NS00050200Q678800227-Isopropenyl-1,4-dimethyl-1,2,3,3a,4,5,6,7-octahydroazulene #Azulene, 1,2,3,3a,4,5,6,7-octahydro-1,4-dimethyl-7-(1-methylethenyl)-, (1R,3aR,4R,7R)-
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 284
Physicochemical properties
- Boiling point
- 264 · 264-266 °C(lit.)
- Density
- 0.918 g/mL · 0.918 g/mL at 20 °C(lit.)
- refractive index
- 20 · n20/D 1.502
- Flash point
- 110 °C · 110 °C
- storage temp.
- 2 · 2-8°C
- Odor
- musty
- Henry's Law Constant
- 3.3 · 3.3×10-4 mol/(m3Pa) at 25℃, Copolovici and Niinemets (2015)
- LogP
- 6.895 · 6.895 (est)
- Safety Statements
- 23 · 23-24/25
- WGK Germany
- 3 · 3
- F
- 8 · 8-10-23
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
- F
- 8-10-23
- wgk
- 3
- safety_code
- 23-24/25
Chemistry & industry
Applications
Usesγ-Gurjunene is a sesquiterpene that can be isolated from gurjun balsam[1].
Additional notes
DefinitionChEBI: Gamma-gurjunene is a sesquiterpene.
Related reactions
1 records
Compound notes
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