1.0 2010-04-08 22:12:38 UTC 2015-07-20 23:32:19 UTC FDB016756 2-Methyl-4-phenyl-2-butyl 2-methylpropanoate Flavouring ingredient with a fruit juice flavour 1,1-Dimethyl-3-phenylpropyl 2-methylpropanoate 1,1-Dimethyl-3-phenylpropyl isobutyrate 2-Methyl-4-phenyl-2-butyl 2-methylpropanoate 2-Methyl-4-phenyl-2-butyl isobutyrate Dimethyl phenethyl carbinyl isobutyrate Dimethyl(phenylethyl)carbinyl isobutyrate Dimethylphenyl ethylcarbinyl isobutyrate Dmpec 2-methylpropanoate Dmpec isobutyrate FEMA 2736 Isobutyric acid, 1,1-dimethyl-3-phenylpropyl ester Phenylethyl dimethyl carbinyl isobutyrate C15H22O2 234.334 234.161979948 2-methyl-4-phenylbutan-2-yl 2-methylpropanoate 2-methyl-4-phenylbutan-2-yl 2-methylpropanoate 10031-71-7 CC(C)C(=O)OC(C)(C)CCC1=CC=CC=C1 InChI=1S/C15H22O2/c1-12(2)14(16)17-15(3,4)11-10-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3 WCEXWNUHYPYHDN-UHFFFAOYSA-N belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. Benzene and substituted derivatives Organic compounds Benzenoids Benzene and substituted derivatives Aromatic homomonocyclic compounds Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aromatic homomonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound logp 4.61 ALOGPS logs -4.71 ALOGPS solubility 4.52e-03 g/l ALOGPS logp 4.32 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac 2-methyl-4-phenylbutan-2-yl 2-methylpropanoate ChemAxon average_mass 234.334 ChemAxon mono_mass 234.161979948 ChemAxon smiles CC(C)C(=O)OC(C)(C)CCC1=CC=CC=C1 ChemAxon formula C15H22O2 ChemAxon inchi InChI=1S/C15H22O2/c1-12(2)14(16)17-15(3,4)11-10-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3 ChemAxon inchikey WCEXWNUHYPYHDN-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 69.64 ChemAxon polarizability 27.71 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12942 Specdb::CMs 28684 Specdb::CMs 101878 Specdb::CMs 163374 Specdb::MsMs 105117 Specdb::MsMs 105118 Specdb::MsMs 105119 Specdb::MsMs 171558 Specdb::MsMs 171559 Specdb::MsMs 171560 Specdb::MsMs 2340033 Specdb::MsMs 2340034 Specdb::MsMs 2340035 Specdb::MsMs 2625110 Specdb::MsMs 2625111 Specdb::MsMs 2625112 HMDB37640 #<Reference:0x000055ce3196fa50> floral fruity green juicy papaya sweet