1.0 2010-04-08 22:08:13 UTC 2025-11-18 23:13:13 UTC FDB008741 Butyl benzoate Butyl 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 benzoate Anthrapole az Benzoic acid n-butyl ester Benzoic acid, butyl ester Butyl benzoate Butyl ester of benzoic acid Butylester kyseliny benzoove Dai cari XBN Hipochem B-3-M Marvanol carrier BB N-butyl benzoate Tert-butyl benzoate C11H14O2 178.2277 178.099379692 butyl benzoate butyl benzoate 136-60-7 CCCCOC(=O)C1=CC=CC=C1 InChI=1S/C11H14O2/c1-2-3-9-13-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3 XSIFPSYPOVKYCO-UHFFFAOYSA-N belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. Benzoic acid esters Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Aromatic homomonocyclic compounds Benzoyl derivatives Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organooxygen compounds Aromatic homomonocyclic compound Benzoate ester Benzoyl Carboxylic acid derivative Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound liquid logp 3.40 ALOGPS logs -3.28 ALOGPS solubility 9.32e-02 g/l ALOGPS melting_point -22.4 oC logp 3.3 ChemAxon pka_strongest_basic -6.9 ChemAxon iupac butyl benzoate ChemAxon average_mass 178.2277 ChemAxon mono_mass 178.099379692 ChemAxon smiles CCCCOC(=O)C1=CC=CC=C1 ChemAxon formula C11H14O2 ChemAxon inchi InChI=1S/C11H14O2/c1-2-3-9-13-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3 ChemAxon inchikey XSIFPSYPOVKYCO-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 51.96 ChemAxon polarizability 20.07 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 51891 Specdb::MsMs 51892 Specdb::MsMs 51893 Specdb::MsMs 150201 Specdb::MsMs 150202 Specdb::MsMs 150203 Specdb::MsMs 3604765 Specdb::MsMs 3604766 Specdb::MsMs 3604767 Specdb::MsMs 3604768 Specdb::MsMs 3604769 Specdb::MsMs 3604770 34034 Papaya Type 1 specific Carica papaya 3649 amber balsam balsamic fruity mild