1.02010-04-08 22:12:10 UTC2019-11-26 03:12:34 UTCFDB015996(±)-p-Mentha-1,8-dien-10-yl acetateIsolated from Citrus natsudaidai oil. (±)-p-Mentha-1,8-dien-10-yl acetate is found in lemon, citrus, and fats and oils.(±)-p-Mentha-1,8-dien-10-ol acetate(±)-p-Mentha-1,8-dien-10-yl acetateC12H18O2194.2701194.130679822-(4-methylcyclohex-3-en-1-yl)prop-2-en-1-yl acetate2-(4-methylcyclohex-3-en-1-yl)prop-2-en-1-yl acetate15111-97-4CC(=O)OCC(=C)C1CCC(C)=CC1InChI=1S/C12H18O2/c1-9-4-6-12(7-5-9)10(2)8-14-11(3)13/h4,12H,2,5-8H2,1,3H3BCTDJPZNMXPMIA-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 compoundsCarbonyl compoundsCarboxylic acid estersHydrocarbon derivativesMonocarboxylic acids and derivativesMonocyclic monoterpenoidsOrganic oxidesAliphatic homomonocyclic compoundCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterHydrocarbon derivativeMonocarboxylic acid or derivativesMonocyclic monoterpenoidOrganic oxideOrganic oxygen compoundOrganooxygen compoundP-menthane monoterpenoidlogp3.65logs-2.83solubility2.89e-01 g/llogp2.38pka_strongest_basic-7iupac2-(4-methylcyclohex-3-en-1-yl)prop-2-en-1-yl acetateaverage_mass194.2701mono_mass194.13067982smilesCC(=O)OCC(=C)C1CCC(C)=CC1formulaC12H18O2inchiInChI=1S/C12H18O2/c1-9-4-6-12(7-5-9)10(2)8-14-11(3)13/h4,12H,2,5-8H2,1,3H3inchikeyBCTDJPZNMXPMIA-UHFFFAOYSA-Npolar_surface_area26.3refractivity57.41polarizability22.76rotatable_bond_count4acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::MsIr7359Specdb::MsIr7360Specdb::CMs25773Specdb::CMs174119Specdb::MsMs100485Specdb::MsMs100486Specdb::MsMs100487Specdb::MsMs165822Specdb::MsMs165823Specdb::MsMs165824Specdb::MsMs2401640Specdb::MsMs2401641Specdb::MsMs2401642Specdb::MsMs2533761Specdb::MsMs2533762Specdb::MsMs2533763CitrusUnknowngenericFats and oilsUnknowngenericLemonType 1specificCitrus limon2708fruitymildmintysweet