1.0 2010-04-08 22:12:19 UTC 2019-11-26 03:12:55 UTC FDB016238 Perillyl acetate Flavouring ingredient. Perillyl acetate is found in sunflower. (4-Isopropenyl-1-cyclohexen-1-yl)methyl acetate 1-Cyclohexene-1-methanol, 4-(1-methylethenyl)-, 1-acetate 1-Cyclohexene-1-methanol, 4-(1-methylethenyl)-, acetate 1,8-P-Menthadien-7-yl acetate 4-(1-Methylethenyl)-1-cyclohexene-1-methyl acetate 4-(1-Methylvinyl)cyclohex-1-ene-1-methyl acetate 4-Isopropenyl-1-cyclohexene carbinyl acetate Cyclohex-1-ene-1-methanol-4-(1-methylethenyl)-acetate Dihydrocuminyl acetate FEMA 3561 Menthadien-7-carbinyl acetate p-Mentha-1,8-dien-7-ol, acetate p-Mentha-1,8-dien-7-yl acetate Perilla acetate Perillyl acetate C12H18O2 194.2701 194.13067982 [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 acetate 15111-96-3 CC(=O)OCC1=CCC(CC1)C(C)=C InChI=1S/C12H18O2/c1-9(2)12-6-4-11(5-7-12)8-14-10(3)13/h4,12H,1,5-8H2,2-3H3 WTXBCFKGCNWPLS-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 monoterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aliphatic homomonocyclic compounds Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Monocyclic monoterpenoids Organic oxides Aliphatic homomonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic monoterpenoid Organic oxide Organic oxygen compound Organooxygen compound P-menthane monoterpenoid logp 3.63 ALOGPS logs -2.83 ALOGPS solubility 2.89e-01 g/l ALOGPS logp 2.38 ChemAxon pka_strongest_basic -7 ChemAxon iupac [4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methyl acetate ChemAxon average_mass 194.2701 ChemAxon mono_mass 194.13067982 ChemAxon smiles CC(=O)OCC1=CCC(CC1)C(C)=C ChemAxon formula C12H18O2 ChemAxon inchi InChI=1S/C12H18O2/c1-9(2)12-6-4-11(5-7-12)8-14-10(3)13/h4,12H,1,5-8H2,2-3H3 ChemAxon inchikey WTXBCFKGCNWPLS-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 57.41 ChemAxon polarizability 22.39 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1801 Specdb::MsIr 7477 Specdb::MsIr 7478 Specdb::CMs 10389 Specdb::CMs 170424 Specdb::MsMs 56406 Specdb::MsMs 56407 Specdb::MsMs 56408 Specdb::MsMs 111816 Specdb::MsMs 111817 Specdb::MsMs 111818 Specdb::MsMs 2674240 Specdb::MsMs 2674241 Specdb::MsMs 2674242 Specdb::MsMs 3033986 Specdb::MsMs 3033987 Specdb::MsMs 3033988 HMDB37231 #<Reference:0x000055ce30ee5198> Mandarin orange (Clementine, Tangerine) Type 1 specific Citrus reticulata 85571 0.55 0.55 0.55 mg/100 g Sunflower Type 1 specific Helianthus annuus 4232 herbal spicy