1.02010-04-08 22:12:19 UTC2019-11-26 03:12:55 UTCFDB016238Perillyl acetateFlavouring ingredient. Perillyl acetate is found in sunflower.(4-Isopropenyl-1-cyclohexen-1-yl)methyl acetate1-Cyclohexene-1-methanol, 4-(1-methylethenyl)-, 1-acetate1-Cyclohexene-1-methanol, 4-(1-methylethenyl)-, acetate1,8-P-Menthadien-7-yl acetate4-(1-Methylethenyl)-1-cyclohexene-1-methyl acetate4-(1-Methylvinyl)cyclohex-1-ene-1-methyl acetate4-Isopropenyl-1-cyclohexene carbinyl acetateCyclohex-1-ene-1-methanol-4-(1-methylethenyl)-acetateDihydrocuminyl acetateFEMA 3561Menthadien-7-carbinyl acetatep-Mentha-1,8-dien-7-ol, acetatep-Mentha-1,8-dien-7-yl acetatePerilla acetatePerillyl acetateC12H18O2194.2701194.13067982[4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methyl acetate[4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methyl acetate15111-96-3CC(=O)OCC1=CCC(CC1)C(C)=CInChI=1S/C12H18O2/c1-9(2)12-6-4-11(5-7-12)8-14-10(3)13/h4,12H,1,5-8H2,2-3H3WTXBCFKGCNWPLS-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 monoterpenoidlogp3.63logs-2.83solubility2.89e-01 g/llogp2.38pka_strongest_basic-7iupac[4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methyl acetateaverage_mass194.2701mono_mass194.13067982smilesCC(=O)OCC1=CCC(CC1)C(C)=CformulaC12H18O2inchiInChI=1S/C12H18O2/c1-9(2)12-6-4-11(5-7-12)8-14-10(3)13/h4,12H,1,5-8H2,2-3H3inchikeyWTXBCFKGCNWPLS-UHFFFAOYSA-Npolar_surface_area26.3refractivity57.41polarizability22.39rotatable_bond_count4acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::EiMs1801Specdb::MsMs56406Specdb::MsMs56407Specdb::MsMs56408Specdb::MsMs111816Specdb::MsMs111817Specdb::MsMs111818Specdb::MsMs2674240Specdb::MsMs2674241Specdb::MsMs2674242Specdb::MsMs3033986Specdb::MsMs3033987Specdb::MsMs3033988Specdb::CMs10389Specdb::CMs170424Specdb::MsIr7477Specdb::MsIr7478HMDB37231#<Reference:0x0000555675ecbc58>Mandarin orange (Clementine, Tangerine)Type 1specificCitrus reticulata855710.550.550.55mg/100 gSunflowerType 1specificHelianthus annuus4232herbalspicy