1.0 2016-05-22 03:33:56 UTC 2026-08-17 21:37:29 UTC 1-Benzoylacetone SmallMolecule 1-Benzoylacetone is an organic compound with the formula C10H10O2 and an average molecular weight of 162.19 g/mol. 1-Benzoylacetone belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. It is further classified under the superclass of organic oxygen compounds and the class of organooxygen compounds. The compound serves industrial roles as a flavouring agent and a nutrient. It is identified in 18 recorded sources across several categories. Within electrical and electronic equipment, it is found in antennas, amplifiers, discharge lamps, electrically stimulated smoking devices, and conductors or conductive bodies characterised by the conductive materials. In the category of household cleaning and consumer products, it is present in bleaching agents, perfumes within soaps and detergents, cigar cigarettes, tobacco smoke filters, and other smoking requisites. Additionally, 1-Benzoylacetone is released from food, food processing, and cookware sources, specifically during fermentation processes for beer. C10H10O2 162.188 162.068079562 1-phenylbutane-1,3-dione 1,3-butanedione, 1-phenyl- 93-91-4 CC(=O)CC(=O)C1=CC=CC=C1 InChI=1S/C10H10O2/c1-8(11)7-10(12)9-5-3-2-4-6-9/h2-6H,7H2,1H3 CVBUKMMMRLOKQR-UHFFFAOYSA-N Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Alkyl-phenylketones Aryl alkyl ketones Benzoyl derivatives Beta-diketones Butyrophenones Hydrocarbon derivatives Organic oxides 1,3-dicarbonyl compound 1,3-diketone Alkyl-phenylketone Aromatic homomonocyclic compound Aryl alkyl ketone Benzenoid Benzoyl Butyrophenone Hydrocarbon derivative Monocyclic benzene moiety Organic oxide Aromatic homomonocyclic compounds a small molecule Detected and Not Quantified logp 1.6 logp 1.36 ALOGPS logs -2.18 ALOGPS solubility 1.08e+00 g/l ALOGPS logp 1.75 ChemAxon pka_strongest_acidic 9.15 ChemAxon pka_strongest_basic -7.2 ChemAxon iupac 1-phenylbutane-1,3-dione ChemAxon average_mass 162.188 ChemAxon mono_mass 162.068079562 ChemAxon smiles CC(=O)CC(=O)C1=CC=CC=C1 ChemAxon formula C10H10O2 ChemAxon inchi InChI=1S/C10H10O2/c1-8(11)7-10(12)9-5-3-2-4-6-9/h2-6H,7H2,1H3 ChemAxon inchikey CVBUKMMMRLOKQR-UHFFFAOYSA-N ChemAxon polar_surface_area 34.14 ChemAxon refractivity 46.36 ChemAxon polarizability 16.89 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bd001c3a0> 7166 6898