β-Ocimene
Properties
- Molecular formula
- C10H16
- Molar mass
- 136.24 g/mol
- Exact mass
- 136.1252 Da
- Density
- 0.8 g/mL (at 204 °C)
- Boiling point
- 73 °C
- logP
- 3.48Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 3
Hazards
Danger
- H226 Flammable liquid and vapor98.1% of notifiers
- H304 May be fatal if swallowed and enters airways96% of notifiers
- H412 Harmful to aquatic life with long lasting effects70% of notifiers
Aggregated from 1,922 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P273, P280, P301+P316, P303+P361+P353, P331, P370+P378, P403+P235, P405, P501
Identifiers
CAS number
13877-91-3SMILES
C=CC(C)=CCC=C(C)CInChIKey
IHPKGUQCSIINRJ-UHFFFAOYSA-NInChI
InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
3 names
- 1,3,6-Octatriene, 3,7-dimethyl-
- 3,7-Dimethyl-1,3,6-octatriene
- Beta-Ocimene
Work with β-Ocimene
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
3-Methyl-1,3-pentadiene4549-74-044 % similar
Prenylthiol5287-45-640 % similar
2,7-Dimethyl-2,6-octadiene16736-42-839 % similar
3,7-Dimethyl-1,6-octadiene2436-90-038 % similar
β-Farnesene18794-84-837 % similar
2-Methyl-2-pentene625-27-436 % similar
1-Chloro-3-methyl-2-butene503-60-635 % similar
Prenol556-82-135 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.