1.0 2010-04-08 22:06:00 UTC 2025-11-18 22:54:20 UTC FDB003914 Benzoyl benzoate Benzoyl benzoate, also known as benzoesaeureanhydrid or benzoic acid, anhydride, is a member of the class of compounds known as benzyloxycarbonyls. Benzyloxycarbonyls are organic compounds containing a carbonyl group substituted with a benzyloxyl group. Benzoyl benzoate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Benzoyl benzoate can be synthesized from benzoic acid. Benzoyl benzoate can also be synthesized into benzoximate. Benzoyl benzoate can be found in wild celery, which makes benzoyl benzoate a potential biomarker for the consumption of this food product. 2-propenoic acid, 3-phenyl-, ethyl ester Benzoic acid, 1,1'-anhydride Benzoic acid, anhydride Benzoic anhydride Benzoyl anhydride Benzoyl benzoate Benzoylbenzoate Phenyl anhydride C14H10O3 226.231 226.062994182 benzoyl benzoate benzoic anhydride 93-97-0 O=C(OC(=O)C1=CC=CC=C1)C1=CC=CC=C1 InChI=1S/C14H10O3/c15-13(11-7-3-1-4-8-11)17-14(16)12-9-5-2-6-10-12/h1-10H CHIHQLCVLOXUJW-UHFFFAOYSA-N belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group. Benzyloxycarbonyls Organic compounds Benzenoids Benzene and substituted derivatives Benzyloxycarbonyls Aromatic homomonocyclic compounds Benzoic acids and derivatives Benzoyl derivatives Carboxylic acid anhydrides Dicarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organooxygen compounds Aromatic homomonocyclic compound Benzoic acid or derivatives Benzoyl Benzyloxycarbonyl Carboxylic acid anhydride Carboxylic acid derivative Dicarboxylic acid or derivatives Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound acyclic carboxylic anhydride logp 3.22 ALOGPS logs -3.84 ALOGPS solubility 3.28e-02 g/l ALOGPS logp 3.8 ChemAxon pka_strongest_basic -6.8 ChemAxon iupac benzoyl benzoate ChemAxon average_mass 226.231 ChemAxon mono_mass 226.062994182 ChemAxon smiles O=C(OC(=O)C1=CC=CC=C1)C1=CC=CC=C1 ChemAxon formula C14H10O3 ChemAxon inchi InChI=1S/C14H10O3/c15-13(11-7-3-1-4-8-11)17-14(16)12-9-5-2-6-10-12/h1-10H ChemAxon inchikey CHIHQLCVLOXUJW-UHFFFAOYSA-N ChemAxon polar_surface_area 43.37 ChemAxon refractivity 63.42 ChemAxon polarizability 23.33 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 114486 Specdb::CMs 128563 Specdb::MsMs 59592 Specdb::MsMs 59593 Specdb::MsMs 59594 Specdb::MsMs 115758 Specdb::MsMs 115759 Specdb::MsMs 115760 Specdb::MsMs 3418727 Specdb::MsMs 3418728 Specdb::MsMs 3418729 Specdb::MsMs 3418730 Specdb::MsMs 3418731 Specdb::MsMs 3418732 38815 Celery stalks Type 1 specific Apium graveolens var. dulce 117781 Wild celery Type 1 specific Apium graveolens 4045