1.02010-04-08 22:09:11 UTC2019-11-26 03:03:47 UTCFDB010559Methyl phenylacetateMethyl phenylacetate is an organic compound that is the ester formed from methanol and phenylacetic acid. It is a clear colorless liquid that is only slightly soluble in water, but very soluble in most organic solvents. Methyl phenylacetate is found in many foods, some of which are cocoa and cocoa products, corn, coffee and coffee products, and pepper (C. frutescens).FEMA 2733MephaneineMethyl α-toluateMethyl alpha-toluateMethyl ester of phenylacetic acidMethyl phenylacetateC9H10O2150.1745150.068079564methyl 2-phenylacetatemethyl phenylacetate101-41-7COC(=O)CC1=CC=CC=C1InChI=1S/C9H10O2/c1-11-9(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3CRZQGDNQQAALAY-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 compoundsHydrocarbon derivativesMethyl estersMonocarboxylic acids and derivativesOrganic oxidesAromatic homomonocyclic compoundCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterHydrocarbon derivativeMethyl esterMonocarboxylic acid or derivativesMonocyclic benzene moietyOrganic oxideOrganic oxygen compoundOrganooxygen compoundlogp2.03logs-2.40solubility6.04e-01 g/llogp1.76pka_strongest_basic-7.1iupacmethyl 2-phenylacetateaverage_mass150.1745mono_mass150.068079564smilesCOC(=O)CC1=CC=CC=C1formulaC9H10O2inchiInChI=1S/C9H10O2/c1-11-9(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3inchikeyCRZQGDNQQAALAY-UHFFFAOYSA-Npolar_surface_area26.3refractivity42.13polarizability16rotatable_bond_count3acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::NmrOneD3763Specdb::NmrOneD4020Specdb::EiMs1812Specdb::CMs2537Specdb::CMs27198Specdb::CMs27892Specdb::CMs28199Specdb::CMs29129Specdb::CMs101214Specdb::CMs101215Specdb::CMs101216Specdb::CMs101217Specdb::CMs148190Specdb::MsIr5635Specdb::MsIr5636Specdb::MsMs48156Specdb::MsMs48157Specdb::MsMs48158Specdb::MsMs121203Specdb::MsMs121204Specdb::MsMs121205Specdb::MsMs2822588Specdb::MsMs2822589Specdb::MsMs2822590Specdb::MsMs2860024Specdb::MsMs2860025Specdb::MsMs2860026HMDB32617#<Reference:0x0000555674596ff8>Arabica coffeeType 1specificCoffea arabica13443Cocoa and cocoa productsUnknowngenericCocoa beanType 1specificTheobroma cacao3641Coffee and coffee productsUnknowngenericCornType 1specificZea mays45773500.03500.03500.0mg/100 gFruitsUnknowngenericPepper (C. frutescens)Type 1specificCapsicum annuum var. annuum40321Robusta coffeeType 1specificCoffea canephora49390almondfloralhoneyspicesweetwaxyflavor936A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.perfumery1206A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.