1.02010-04-08 22:10:09 UTC2018-05-28 23:36:24 UTCFDB012394Eugenyl isovalerateIt is used as a food additive .4-Allyl-2-methoxyphenyl isovalerateS-(3-Methylbutanoyl)-dihydrolipoamideC15H20O3248.3175248.1412445062-methoxy-4-(prop-2-en-1-yl)phenyl 3-methylbutanoate2-methoxy-4-(prop-2-en-1-yl)phenyl 3-methylbutanoate61114-24-7COC1=C(OC(=O)CC(C)C)C=CC(CC=C)=C1InChI=1S/C15H20O3/c1-5-6-12-7-8-13(14(10-12)17-4)18-15(16)9-11(2)3/h5,7-8,10-11H,1,6,9H2,2-4H3PLUVLWUSXQCTNH-UHFFFAOYSA-N belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group.Phenol estersOrganic compoundsBenzenoidsPhenol estersAromatic homomonocyclic compoundsAlkyl aryl ethersAnisolesCarbonyl compoundsCarboxylic acid estersFatty acid estersHydrocarbon derivativesMethoxybenzenesMonocarboxylic acids and derivativesOrganic oxidesPhenoxy compoundsAlkyl aryl etherAnisoleAromatic homomonocyclic compoundCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterEtherFatty acid esterFatty acylHydrocarbon derivativeMethoxybenzeneMonocarboxylic acid or derivativesMonocyclic benzene moietyOrganic oxideOrganic oxygen compoundOrganooxygen compoundPhenol esterPhenol etherPhenoxy compoundlogp4.36logs-4.42solubility9.35e-03 g/llogp3.95pka_strongest_basic-4.9iupac2-methoxy-4-(prop-2-en-1-yl)phenyl 3-methylbutanoateaverage_mass248.3175mono_mass248.141244506smilesCOC1=C(OC(=O)CC(C)C)C=CC(CC=C)=C1formulaC15H20O3inchiInChI=1S/C15H20O3/c1-5-6-12-7-8-13(14(10-12)17-4)18-15(16)9-11(2)3/h5,7-8,10-11H,1,6,9H2,2-4H3inchikeyPLUVLWUSXQCTNH-UHFFFAOYSA-Npolar_surface_area35.53refractivity71.72polarizability27.81rotatable_bond_count7acceptor_count2donor_count0physiological_charge0formal_charge0Specdb::CMs15103Specdb::CMs154656Specdb::MsMs45048Specdb::MsMs45049Specdb::MsMs45050Specdb::MsMs163248Specdb::MsMs163249Specdb::MsMs163250Specdb::MsMs3045001Specdb::MsMs3045002Specdb::MsMs3045003Specdb::MsMs3094681Specdb::MsMs3094682Specdb::MsMs3094683HMDB3412327462#<Reference:0x0000555675604890>clovefruity