3-Carene
Properties
- Molecular formula
- C10H16
- Molar mass
- 136.24 g/mol
- Exact mass
- 136.1252 Da
- Density
- 0.8586 g/mL (at 30 °C)
- Melting point
- below 25 °C
- Boiling point
- 170 °C
- logP
- 3.00Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Danger
- H226 Flammable liquid and vapor97.7% of notifiers
- H304 May be fatal if swallowed and enters airways97.7% of notifiers
- H315 Causes skin irritation95.4% of notifiers
- H317 May cause an allergic skin reaction99.8% of notifiers
- H400 Very toxic to aquatic life10.8% of notifiers
- H410 Very toxic to aquatic life with long lasting effects10.8% of notifiers
- H412 Harmful to aquatic life with long lasting effects75.3% of notifiers
Aggregated from 1,766 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P272, P273, P280, P301+P316, P302+P352, P303+P361+P353, P321, P331, P332+P317, P333+P317, P362+P364, P370+P378, P391, P403+P235, P405, P501
Identifiers
CAS number
13466-78-9SMILES
CC1=CCC2C(C1)C2(C)CInChIKey
BQOFWKZOCNGFEC-UHFFFAOYSA-NInChI
InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Bicyclo[4.1.0]hept-3-ene, 3,7,7-trimethyl-
- 3,7,7-Trimethylbicyclo[4.1.0]hept-3-ene
- δ3-Carene
- δ-3-Carene
- (±)-3-Carene
- (±)-δ3-Carene
Work with 3-Carene
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
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
(-)-α-Pinene7785-26-436 % similar
(1R)-α-Pinene7785-70-836 % similar
α-Pinene80-56-836 % similar
Isomethyltetrahydrophthalic anhydride3425-89-636 % similar
Grapefruit mercaptan71159-90-536 % similar
(-)-α-Terpineol10482-56-135 % similar
Terpineol98-55-535 % similar
6,6-Dimethyl-3-azabicyclo[3.1.0]hexane boceprevir key intermediate943516-54-931 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds