1.02010-04-08 22:10:02 UTC2019-11-26 03:06:22 UTCFDB012197Ethyl benzoateFound in various fruits, e.g. apple, banana, sweet cherryand is also present in milk, butter, wines, black tea, bourbon vanilla and fruit brandies. Flavouring agent
As with many volatile esters, ethyl benzoate has a pleasant odor. It is a component of some artificial fruit flavors.; Ethyl benzoate is the ester formed by the condensation of benzoic acid and ethanol. It is a colorless liquid that is almost insoluble in water, but miscible with most organic solvents.2-methoxy-1-phenyl-ethanone2,4-Dihydroxy-6-methylbenzoate2,4-Dihydroxy-6-methylbenzoic acid4,6-Dihydroxy-o-toluic acidBenzoic acid, C12-13-alkyl estersBenzoic acid, C14-15-alkyl estersBenzoic acid, C9-11-alkyl estersBenzoic acid, ethyl esterBenzoic acid,ethyl esterBenzoic etherBenzoyl ethyl etherEthyl benzenecarboxylateEthyl benzoateEthyl benzoic acidEthylester kyseliny benzooveFEMA 2422O-orsellinic acidOrsellinateC9H10O2150.1745150.068079564ethyl benzoateethyl benzoate93-89-0CCOC(=O)C1=CC=CC=C1InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3MTZQAGJQAFMTAQ-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 compoundlogp2.39logs-2.26solubility8.26e-01 g/lmelting_pointFp -34°logp2.33pka_strongest_basic-6.9iupacethyl benzoateaverage_mass150.1745mono_mass150.068079564smilesCCOC(=O)C1=CC=CC=C1formulaC9H10O2inchiInChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3inchikeyMTZQAGJQAFMTAQ-UHFFFAOYSA-Npolar_surface_area26.3refractivity42.83polarizability16.22rotatable_bond_count3acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::NmrOneD2707Specdb::NmrOneD3399Specdb::EiMs683Specdb::MsIr6378Specdb::MsIr6379Specdb::CMs2344Specdb::CMs26752Specdb::CMs26836Specdb::CMs27416Specdb::CMs27548Specdb::CMs28098Specdb::CMs28139Specdb::CMs29118Specdb::CMs29568Specdb::CMs29619Specdb::CMs101473Specdb::CMs101474Specdb::CMs101475Specdb::CMs101476Specdb::CMs101477Specdb::CMs101478Specdb::CMs101479Specdb::CMs101480Specdb::CMs101481Specdb::CMs152236Specdb::MsMs99597Specdb::MsMs99598Specdb::MsMs99599Specdb::MsMs164751Specdb::MsMs164752Specdb::MsMs164753Specdb::MsMs2453650Specdb::MsMs2453651Specdb::MsMs2453652Specdb::MsMs2484924Specdb::MsMs2484925Specdb::MsMs2484926HMDB3396732807#<Reference:0x000055567495a3b0>Alcoholic beveragesUnknowngenericAllspiceType 1specificPimenta dioica375272Asian pearType 1specificPyrus pyrifolia3767Black elderberryType 1specificSambucus nigra4202Black teaType 1BlackberryType 1specificRubusBlackcurrantType 1specificRibes nigrum78511ClovesType 1specificSyzygium aromaticum219868Evergreen blackberryType 1specificRubus laciniatusFruitsUnknowngenericGerman camomileType 1specificMatricaria recutita127986Green teaType 1Herbal teaType 1Milk and milk productsUnknowngenericPapayaType 1specificCarica papaya3649PeachType 1specificPrunus persica3760PomesUnknowngenericRed teaType 1Sour cherryType 1specificPrunus cerasus140311TeaType 1specificCamellia sinensis4442anisebalsambananaberrybittercamomilecelerycherrycranberrydryflowerfruitfruitygrapemintymustyplumraspberrystrawberrysweetwintergreenflavor936A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.