1.02010-04-08 22:08:13 UTC2019-11-26 03:03:05 UTCFDB008741Butyl benzoateButyl benzoate, also known as butyl benzoic acid, is a member of the class of compounds known as benzoic acid esters. Benzoic acid esters are ester derivatives of benzoic acid. Butyl benzoate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Butyl benzoate is a mild, amber, and balsamic tasting compound found in papaya, which makes butyl benzoate a potential biomarker for the consumption of this food product. 1,1-Dimethylethyl benzoateAnthrapole azBenzoic acid n-butyl esterBenzoic acid, butyl esterButyl benzoateButyl ester of benzoic acidButylester kyseliny benzooveDai cari XBNHipochem B-3-MMarvanol carrier BBN-butyl benzoateTert-butyl benzoateC11H14O2178.2277178.099379692butyl benzoatebutyl benzoate136-60-7CCCCOC(=O)C1=CC=CC=C1InChI=1S/C11H14O2/c1-2-3-9-13-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3XSIFPSYPOVKYCO-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 compoundliquidlogp3.40logs-3.28solubility9.32e-02 g/lmelting_point-22.4 oClogp3.3pka_strongest_basic-6.9iupacbutyl benzoateaverage_mass178.2277mono_mass178.099379692smilesCCCCOC(=O)C1=CC=CC=C1formulaC11H14O2inchiInChI=1S/C11H14O2/c1-2-3-9-13-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3inchikeyXSIFPSYPOVKYCO-UHFFFAOYSA-Npolar_surface_area26.3refractivity51.96polarizability20.07rotatable_bond_count5acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::MsMs51891Specdb::MsMs51892Specdb::MsMs51893Specdb::MsMs150201Specdb::MsMs150202Specdb::MsMs150203Specdb::MsMs3604765Specdb::MsMs3604766Specdb::MsMs3604767Specdb::MsMs3604768Specdb::MsMs3604769Specdb::MsMs360477034034PapayaType 1specificCarica papaya3649amberbalsambalsamicfruitymild