Terpinene
Properties
- Molecular formula
- C10H16
- Molar mass
- 136.24 g/mol
- Exact mass
- 136.1252 Da
- Density
- 0.8529 g/mL (at 23 °C)
- Melting point
- below 25 °C
- Boiling point
- 175 °C
- logP
- 3.31Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 1
Hazards
Danger
- H226 Flammable liquid and vaporFlammable liquids
- H302 Harmful if swallowedAcute toxicity, oral
- H304 May be fatal if swallowed and enters airwaysAspiration hazard
- H317 May cause an allergic skin reactionSensitization, Skin
- H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard
Harmonised EU classification (CLP Annex VI, index 601-095-00-7), via PubChem.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P270, P272, P273, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P321, P330, P331, P333+P317, P362+P364, P370+P378, P391, P403+P235, P405, P501
Identifiers
CAS number
99-86-5SMILES
CC1=CC=C(C(C)C)CC1InChIKey
YHQGMYUVUMAZJR-UHFFFAOYSA-NInChI
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8H,5,7H2,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
11 names
- 1,3-Cyclohexadiene, 1-methyl-4-(1-methylethyl)-
- p-Mentha-1,3-diene
- 1-Methyl-4-(1-methylethyl)-1,3-cyclohexadiene
- Terpilene
- α-Terpinene
- α-Terpinen
- 4-Isopropyl-1-methyl-1,3-cyclohexadiene
- 1-Methyl-4-isopropyl-1,3-cyclohexadiene
- 1-Isopropyl-4-methyl-1,3-cyclohexadiene
- Alpha-Terpinene
- 1-Methyl-4-propan-2-ylcyclohexa-1,3-diene
Work with Terpinene
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
Tanimoto similarity of circular fingerprints over the whole catalogue.