1.02010-04-08 22:11:44 UTC2015-07-20 23:16:07 UTCFDB0152663-Phenylpropyl propanoateFlavouring ingredientβ-phenylpropyl propionate1-Propanol, 3-phenyl-, propionate3-Phenyl propyl propionate3-Phenyl-1-propanol propionate3-Phenylpropyl propanoate3-Phenylpropyl propionateBenzenepropanol, 1-propanoatebeta -Phenylpropyl propionateFEMA 2897Hydrocinnamyl propionatePhenylpropyl n-propionatePhenylpropyl propionateC12H16O2192.2542192.1150297563-phenylpropyl propanoatebenzenepropanol, propanoate122-74-7CCC(=O)OCCCC1=CC=CC=C1InChI=1S/C12H16O2/c1-2-12(13)14-10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3GTNCESCYZPMXCJ-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 compoundlogp3.29logs-3.76solubility3.35e-02 g/llogp3.08pka_strongest_basic-7iupac3-phenylpropyl propanoateaverage_mass192.2542mono_mass192.115029756smilesCCC(=O)OCCCC1=CC=CC=C1formulaC12H16O2inchiInChI=1S/C12H16O2/c1-2-12(13)14-10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3inchikeyGTNCESCYZPMXCJ-UHFFFAOYSA-Npolar_surface_area26.3refractivity56.01polarizability22.34rotatable_bond_count6acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::MsIr7253Specdb::MsIr7254Specdb::CMs18466Specdb::CMs137038Specdb::CMs144772Specdb::MsMs62067Specdb::MsMs62068Specdb::MsMs62069Specdb::MsMs118725Specdb::MsMs118726Specdb::MsMs118727Specdb::MsMs2351623Specdb::MsMs2351624Specdb::MsMs2351625Specdb::MsMs2584586Specdb::MsMs2584587Specdb::MsMs2584588HMDB36388#<Reference:0x00005556749fce58>balsamfloralhyacinthmimosa