Terpinolene
Properties
- Molecular formula
- C10H16
- Molar mass
- 136.24 g/mol
- Exact mass
- 136.1252 Da
- Density
- 0.8623 g/mL (at 20 °C)
- Melting point
- below 25 °C
- Boiling point
- 185 °C
- Water solubility
- 9.5 mg/L (25 °C)
- logP
- 3.45Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Danger
- H226 Flammable liquid and vapor77.8% of notifiers
- H304 May be fatal if swallowed and enters airways98% of notifiers
- H315 Causes skin irritation59.3% of notifiers
- H317 May cause an allergic skin reaction76.9% of notifiers
- H400 Very toxic to aquatic life18.6% of notifiers
- H410 Very toxic to aquatic life with long lasting effects18.7% of notifiers
- H411 Toxic to aquatic life with long lasting effects81.3% of notifiers
Aggregated from 2,251 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
586-62-9SMILES
CC1=CCC(=C(C)C)CC1InChIKey
MOYAFQVGZZPNRA-UHFFFAOYSA-NInChI
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4H,5-7H2,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
12 names
- Cyclohexene, 1-methyl-4-(1-methylethylidene)-
- p-Mentha-1,4(8)-diene
- 1-Methyl-4-(1-methylethylidene)cyclohexene
- α-Terpinolene
- Terpinolen
- 4-Isopropylidene-1-methylcyclohexene
- Isoterpinene
- Nofmer TP
- δ-Terpinene
- Terpinolene 95PF
- 1-Methyl-4-propan-2-ylidene-cyclohexene
- 1-Methyl-4-(propan-2-ylidene)cyclohex-1-ene
Work with Terpinolene
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
γ-Bisabolene495-62-552 % similar
1-Methylcyclopropene3100-04-745 % similar
Germacrone6902-91-640 % similar
1-Methylcyclopentene693-89-038 % similar
Methylcyclohexene591-49-137 % similar
Squalene111-02-434 % similar
Squalene7683-64-934 % similar
γ-Terpinene99-85-432 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.