1.02010-04-08 22:07:38 UTC2020-09-17 15:31:31 UTCFDB007475TerpeneneAlpha-Terpinene is one of four isomers of terpinene (the other three being beta terpinene, gamma terpenine, and delta terpinine or terpimolene) that differ in the position of carbon-carbon double bonds. Alpha-Terpinene belongs to the class of organic compounds known as menthane monoterpenes. These are monoterpenes with a structure based on the o-, m-, or p-menthane backbone. p-Menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes. alpha-Terpinene is a naturally occurring monoterpene found in allspice, cardamom, and marjoram. alpha-Terpinene is a constituent of many essential oils with oil from Litsea ceylanica being is a major source (20%) of it. alpha-Terpinene has been found in Citrus, Eucalyptus and Juniperus species. alpha-Terpinene is a flavouring agent and is produced industrially by acid-catalyzed rearrangement of α-pinene. It has perfume and flavoring properties but is mainly used to confer a pleasant odor to industrial fluids.C10H16136.238136.1252005151-methyl-4-(propan-2-yl)cyclohexa-1,3-dieneterpineneCC(C)C1=CC=C(C)CC1InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8H,5,7H2,1-3H3YHQGMYUVUMAZJR-UHFFFAOYSA-N belongs to the class of organic compounds known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes.Menthane monoterpenoidsOrganic compoundsLipids and lipid-like moleculesPrenol lipidsMonoterpenoidsAliphatic homomonocyclic compoundsBranched unsaturated hydrocarbonsCyclic olefinsMonocyclic monoterpenoidsUnsaturated aliphatic hydrocarbonsAliphatic homomonocyclic compoundBranched unsaturated hydrocarbonCyclic olefinHydrocarbonMonocyclic monoterpenoidOlefinP-menthane monoterpenoidUnsaturated aliphatic hydrocarbonUnsaturated hydrocarbonCyclic monoterpenesMenthane monoterpenoidsMenthane monoterpenoidsa monoterpenoidmonoterpenelogp4.51logs-2.44solubility4.98e-01 g/llogp3.16iupac1-methyl-4-(propan-2-yl)cyclohexa-1,3-dieneaverage_mass136.238mono_mass136.125200515smilesCC(C)C1=CC=C(C)CC1formulaC10H16inchiInChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8H,5,7H2,1-3H3inchikeyYHQGMYUVUMAZJR-UHFFFAOYSA-Npolar_surface_area0refractivity47.55polarizability17.59rotatable_bond_count1acceptor_count0donor_count0physiological_charge0formal_charge0Specdb::EiMs1791Specdb::CMs3298Specdb::CMs28654Specdb::CMs28763Specdb::CMs101849Specdb::CMs101850Specdb::CMs103752Specdb::CMs167306Specdb::NmrOneD4013Specdb::NmrOneD4300Specdb::MsMs10760Specdb::MsMs10761Specdb::MsMs10762Specdb::MsMs17432Specdb::MsMs17433Specdb::MsMs17434Specdb::MsMs2814326Specdb::MsMs2814327Specdb::MsMs2814328Specdb::MsMs2890696Specdb::MsMs2890697Specdb::MsMs2890698Common verbenaType 1specificVerbena officinalis79772