1.02010-04-08 22:12:38 UTC2015-07-20 23:32:19 UTCFDB0167562-Methyl-4-phenyl-2-butyl 2-methylpropanoateFlavouring ingredient with a fruit juice flavour1,1-Dimethyl-3-phenylpropyl 2-methylpropanoate1,1-Dimethyl-3-phenylpropyl isobutyrate2-Methyl-4-phenyl-2-butyl 2-methylpropanoate2-Methyl-4-phenyl-2-butyl isobutyrateDimethyl phenethyl carbinyl isobutyrateDimethyl(phenylethyl)carbinyl isobutyrateDimethylphenyl ethylcarbinyl isobutyrateDmpec 2-methylpropanoateDmpec isobutyrateFEMA 2736Isobutyric acid, 1,1-dimethyl-3-phenylpropyl esterPhenylethyl dimethyl carbinyl isobutyrateC15H22O2234.334234.1619799482-methyl-4-phenylbutan-2-yl 2-methylpropanoate2-methyl-4-phenylbutan-2-yl 2-methylpropanoate10031-71-7CC(C)C(=O)OC(C)(C)CCC1=CC=CC=C1InChI=1S/C15H22O2/c1-12(2)14(16)17-15(3,4)11-10-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3WCEXWNUHYPYHDN-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 derivativesOrganic compoundsBenzenoidsBenzene and substituted derivativesAromatic homomonocyclic compoundsCarbonyl compoundsCarboxylic acid estersHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic oxidesAromatic homomonocyclic compoundCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterHydrocarbon derivativeMonocarboxylic acid or derivativesMonocyclic benzene moietyOrganic oxideOrganic oxygen compoundOrganooxygen compoundlogp4.61logs-4.71solubility4.52e-03 g/llogp4.32pka_strongest_basic-7.1iupac2-methyl-4-phenylbutan-2-yl 2-methylpropanoateaverage_mass234.334mono_mass234.161979948smilesCC(C)C(=O)OC(C)(C)CCC1=CC=CC=C1formulaC15H22O2inchiInChI=1S/C15H22O2/c1-12(2)14(16)17-15(3,4)11-10-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3inchikeyWCEXWNUHYPYHDN-UHFFFAOYSA-Npolar_surface_area26.3refractivity69.64polarizability27.71rotatable_bond_count6acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs12942Specdb::CMs28684Specdb::CMs101878Specdb::CMs163374Specdb::MsMs105117Specdb::MsMs105118Specdb::MsMs105119Specdb::MsMs171558Specdb::MsMs171559Specdb::MsMs171560Specdb::MsMs2340033Specdb::MsMs2340034Specdb::MsMs2340035Specdb::MsMs2625110Specdb::MsMs2625111Specdb::MsMs2625112HMDB37640#<Reference:0x00005556761a4e48>floralfruitygreenjuicypapayasweet