1.0 2010-04-08 22:11:20 UTC 2019-11-26 03:10:19 UTC FDB014553 (2S,4R)-p-Mentha-1(7),5-dien-2-ol acetate Constituent of Angelica archangelica (angelica). (2S,4R)-p-Mentha-1(7),5-dien-2-ol acetate is found in fats and oils, herbs and spices, and green vegetables. C12H18O2 194.2701 194.13067982 2-methylidene-5-(propan-2-yl)cyclohex-3-en-1-yl acetate 5-isopropyl-2-methylidenecyclohex-3-en-1-yl acetate CC(C)C1CC(OC(C)=O)C(=C)C=C1 InChI=1S/C12H18O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h5-6,8,11-12H,3,7H2,1-2,4H3 FOSCFYGDBSMRFI-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 3.24 ALOGPS logs -3.21 ALOGPS solubility 1.19e-01 g/l ALOGPS logp 2.47 ChemAxon pka_strongest_basic -7 ChemAxon iupac 2-methylidene-5-(propan-2-yl)cyclohex-3-en-1-yl acetate ChemAxon average_mass 194.2701 ChemAxon mono_mass 194.13067982 ChemAxon smiles CC(C)C1CC(OC(C)=O)C(=C)C=C1 ChemAxon formula C12H18O2 ChemAxon inchi InChI=1S/C12H18O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h5-6,8,11-12H,3,7H2,1-2,4H3 ChemAxon inchikey FOSCFYGDBSMRFI-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 57.41 ChemAxon polarizability 22.34 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18590 Specdb::CMs 172210 Specdb::MsMs 50358 Specdb::MsMs 50359 Specdb::MsMs 50360 Specdb::MsMs 136182 Specdb::MsMs 136183 Specdb::MsMs 136184 Specdb::MsMs 2410201 Specdb::MsMs 2410202 Specdb::MsMs 2410203 Specdb::MsMs 2555736 Specdb::MsMs 2555737 Specdb::MsMs 2555738 HMDB35801 #<Reference:0x000055ce3066ba58> Fats and oils Unknown generic Green vegetables Unknown generic Herbs and Spices Unknown generic