1.0 2016-05-19 02:03:34 UTC 2026-08-23 04:32:01 UTC ETHYL ACETOACETATE SmallMolecule Ethyl acetoacetate is an organic compound with the chemical formula C6H10O3 and an average molecular weight of 130.14 g/mol. ETHYL ACETOACETATE belongs to the beta-keto acids and derivatives, a subclass of keto acids and derivatives within the organic compounds. In industrial applications, the compound is utilized as a fragrance, as well as a flavouring and nutrient. The compound is associated with 43 recorded sources. Within the category of electrical and electronic equipment, it is found in amplifiers, antennas, coils, communication cables or conductors, and conductors or conductive bodies characterised by the conductive materials, among 19 other sources. It is present in food, food processing and cookware, specifically in food preservation, the preparation of malt, the preparation of vinegar, the preparation of wine or sparkling wine, and fermentation processes for beer, along with two additional sources. In household cleaning and consumer products, ethyl acetoacetate is found in soap detergents, bleaching agents, cigar cigarettes, other smoking requisites, and perfumes within detergents and soaps, as well as two more sources. Further sources include household items such as watch chains, drinking water and water supply, and building and construction materials including ceilings, ladders, and tents or canopies. The recorded exposure route for this compound is oral. Acetoacetic ester Ethyl 3-oxobutanoate C6H10O3 130.1418 130.062994186 ethyl 3-oxobutanoate ethyl acetoacetate 141-97-9 CCOC(=O)CC(C)=O InChI=1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3 XYIBRDXRRQCHLP-UHFFFAOYSA-N Organic compounds Organic acids and derivatives Keto acids and derivatives Beta-keto acids and derivatives Beta-keto acids and derivatives 1,3-dicarbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Ketones Monocarboxylic acids and derivatives Organic oxides 1,3-dicarbonyl compound Aliphatic acyclic compound Beta-keto acid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Hydrocarbon derivative Ketone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Aliphatic acyclic compounds a small molecule oxo carboxylic acid Detected and Not Quantified logp 0.2 logp 0.19 ALOGPS logs -0.35 ALOGPS solubility 5.86e+01 g/l ALOGPS logp 0.5 ChemAxon pka_strongest_acidic 9.93 ChemAxon pka_strongest_basic -7 ChemAxon iupac ethyl 3-oxobutanoate ChemAxon average_mass 130.1418 ChemAxon mono_mass 130.062994186 ChemAxon smiles CCOC(=O)CC(C)=O ChemAxon formula C6H10O3 ChemAxon inchi InChI=1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3 ChemAxon inchikey XYIBRDXRRQCHLP-UHFFFAOYSA-N ChemAxon polar_surface_area 43.37 ChemAxon refractivity 32.06 ChemAxon polarizability 13.2 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7224876688> 8868 13865426