1.02010-04-08 22:14:58 UTC2019-11-26 03:18:50 UTCFDB0203652-Methylpropyl benzoate2-Methylpropyl benzoate is used in perfumery and food flavouring. It is found in banana, sweet cherry, papaya, beer, cider and cocoa.2-Methylpropyl benzoateBenzoic acid, 2-methylpropyl esterBenzoic acid, isobutyl esterBenzoic acid, isobutyl ester (6CI,7CI,8CI)FEMA 2185Isobutyl benzoateC11H14O2178.2277178.0993796922-methylpropyl benzoate2-methylpropyl benzoate120-50-3CC(C)COC(=O)C1=CC=CC=C1InChI=1S/C11H14O2/c1-9(2)8-13-11(12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3KYZHGEFMXZOSJN-UHFFFAOYSA-N belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.Benzoic acid estersOrganic compoundsBenzenoidsBenzene and substituted derivativesBenzoic acids and derivativesAromatic homomonocyclic compoundsBenzoyl derivativesCarboxylic acid estersHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic oxidesOrganooxygen compoundsAromatic homomonocyclic compoundBenzoate esterBenzoylCarboxylic acid derivativeCarboxylic acid esterHydrocarbon derivativeMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundbenzoate esterlogp3.27logs-3.23solubility1.04e-01 g/llogp3.22pka_strongest_basic-6.9iupac2-methylpropyl benzoateaverage_mass178.2277mono_mass178.099379692smilesCC(C)COC(=O)C1=CC=CC=C1formulaC11H14O2inchiInChI=1S/C11H14O2/c1-9(2)8-13-11(12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3inchikeyKYZHGEFMXZOSJN-UHFFFAOYSA-Npolar_surface_area26.3refractivity51.83polarizability20.17rotatable_bond_count4acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::MsMs88023Specdb::MsMs88024Specdb::MsMs88025Specdb::MsMs150660Specdb::MsMs150661Specdb::MsMs150662Specdb::MsMs2448392Specdb::MsMs2448393Specdb::MsMs2448394Specdb::MsMs2486502Specdb::MsMs2486503Specdb::MsMs2486504Specdb::CMs16760Specdb::CMs26755Specdb::CMs26756Specdb::CMs26838Specdb::CMs26839Specdb::CMs27796Specdb::CMs27826Specdb::CMs27845Specdb::CMs28092Specdb::CMs28133Specdb::CMs29122Specdb::CMs29123Specdb::CMs29621Specdb::CMs29638Specdb::CMs102160Specdb::CMs102161Specdb::CMs102162Specdb::CMs102163Specdb::CMs102164Specdb::CMs102165Specdb::CMs102166Specdb::CMs102167Specdb::CMs102168Specdb::CMs102169Specdb::CMs102170Specdb::MsIr9022Specdb::MsIr9023HMDB40583#<Reference:0x0000555675b44cd8>Alcoholic beveragesUnknowngenericCocoa and cocoa productsUnknowngenericCocoa beanType 1specificTheobroma cacao3641FruitsUnknowngenericbalsamfruitymustypowderysweet