1.0 2010-04-08 22:14:15 UTC 2018-05-29 01:41:19 UTC FDB019271 11,12,13-Trinor-1,3,5-bisabolatrien-10-oic acid Flavouring ingredient. Constituent of East Indian sandalwood oil 4-(4-Methylphenyl)pentanoic acid 4-p-Tolylpentanoic acid Dihydro-a-norcurcumenic acid g,4-Dimethylbenzenebutanoic acid C12H16O2 192.2542 192.115029756 4-(4-methylphenyl)pentanoic acid 4-(4-methylphenyl)pentanoic acid CC(CCC(O)=O)C1=CC=C(C)C=C1 InChI=1S/C12H16O2/c1-9-3-6-11(7-4-9)10(2)5-8-12(13)14/h3-4,6-7,10H,5,8H2,1-2H3,(H,13,14) WSXBHPNNXXHZAP-UHFFFAOYSA-N belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring. Aromatic monoterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aromatic homomonocyclic compounds Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Monocyclic monoterpenoids Organic oxides Toluenes Aromatic homomonocyclic compound Aromatic monoterpenoid Benzenoid Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Monocyclic monoterpenoid Organic oxide Organic oxygen compound Organooxygen compound P-cymene Toluene logp 3.06 ALOGPS logs -3.26 ALOGPS solubility 1.07e-01 g/l ALOGPS logp 3.3 ChemAxon pka_strongest_acidic 4.96 ChemAxon iupac 4-(4-methylphenyl)pentanoic acid ChemAxon average_mass 192.2542 ChemAxon mono_mass 192.115029756 ChemAxon smiles CC(CCC(O)=O)C1=CC=C(C)C=C1 ChemAxon formula C12H16O2 ChemAxon inchi InChI=1S/C12H16O2/c1-9-3-6-11(7-4-9)10(2)5-8-12(13)14/h3-4,6-7,10H,5,8H2,1-2H3,(H,13,14) ChemAxon inchikey WSXBHPNNXXHZAP-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 56.16 ChemAxon polarizability 21.92 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8215 Specdb::MsIr 8216 Specdb::MsIr 8217 Specdb::MsMs 9197 Specdb::MsMs 9198 Specdb::MsMs 9199 Specdb::MsMs 15869 Specdb::MsMs 15870 Specdb::MsMs 15871 Specdb::MsMs 2669107 Specdb::MsMs 2669108 Specdb::MsMs 2669109 Specdb::MsMs 3008914 Specdb::MsMs 3008915 Specdb::MsMs 3008916 Specdb::CMs 12579 Specdb::CMs 46502 Specdb::CMs 173873 HMDB39643 #<Reference:0x000055ce2e0dec18>