γ-Bisabolene
Properties
- Molecular formula
- C15H24
- Molar mass
- 204.36 g/mol
- Exact mass
- 204.1878 Da
- Density
- 0.8717 g/mL (at 21 °C)
- Boiling point
- 118–120 °C
- logP
- 5.18Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 3
Hazards
Danger
- H304 May be fatal if swallowed and enters airways99.8% of notifiers
- H315 Causes skin irritation99.8% of notifiers
- H317 May cause an allergic skin reaction99.8% of notifiers
Aggregated from 1,718 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P272, P280, P301+P316, P302+P352, P321, P331, P332+P317, P333+P317, P362+P364, P405, P501
Identifiers
CAS number
495-62-5SMILES
CC(C)=CCCC(C)=C1CC=C(C)CC1InChIKey
XBGUIVFBMBVUEG-UHFFFAOYSA-NInChI
InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8H,5,7,9-11H2,1-4H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Cyclohexene, 4-(1,5-dimethyl-4-hexen-1-ylidene)-1-methyl-
- 2-Heptene, 2-methyl-6-(4-methyl-3-cyclohexen-1-ylidene)-
- Bisabolene
- Cyclohexene, 4-(1,5-dimethyl-4-hexenylidene)-1-methyl-
- 4-(1,5-Dimethyl-4-hexen-1-ylidene)-1-methylcyclohexene
- Gamma-Bisabolene
Work with γ-Bisabolene
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Squalene111-02-453 % similar
Squalene7683-64-953 % similar
Terpinolene586-62-952 % similar
Geraniol106-24-147 % similar
Nerol106-25-247 % similar
Thiogeraniol39067-80-647 % similar
Geranyl chloride5389-87-747 % similar
Geranyl bromide6138-90-547 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.