1.0 2016-05-19 03:09:32 UTC 2026-08-23 02:01:22 UTC 2,4-Pentanedione SmallMolecule 2,4-Pentanedione (C5H8O2) is an organic compound with an average molecular weight of 100.12 g/mol. 2,4-Pentanedione belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. This substance is found in or released from 25 recorded sources. Within the category of electrical and electronic equipment, it is associated with amplifiers, antennas, auxiliary devices, coils, and communication cables or conductors, among nine other sources. In the context of food, food processing, and cookware, it is linked to food contact materials, fermentation processes for beer, the preparation of malt, and the preparation of wine or sparkling wine. It is also found in building and construction materials, specifically ladders and sunshades awnings or outside screens. Additionally, the compound is present in household cleaning and consumer products, including bleaching agents, cigar cigarettes, and other smoking requisites. It has also been identified in drinking water and water supply systems. Recorded routes of exposure for 2,4-Pentanedione include inhalation, oral ingestion, and touch. pentane-2,4-dione Titanium, acetylacetone Bu alc. iso-Pr alc. methanol complexes C5H8O2 100.1158 100.0524295 pentane-2,4-dione acetylacetone 123-54-6 CC(=O)CC(C)=O InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3 YRKCREAYFQTBPV-UHFFFAOYSA-N Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Beta-diketones Hydrocarbon derivatives Ketones Organic oxides 1,3-diketone Aliphatic acyclic compound Hydrocarbon derivative Ketone Organic oxide Aliphatic acyclic compounds Oxygenated hydrocarbons a small molecule beta-diketone Detected and Not Quantified logp 0.4 logp -0.20 ALOGPS logs 0.15 ALOGPS solubility 1.40e+02 g/l ALOGPS logp 0.33 ChemAxon pka_strongest_acidic 8.51 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac pentane-2,4-dione ChemAxon average_mass 100.1158 ChemAxon mono_mass 100.0524295 ChemAxon smiles CC(=O)CC(C)=O ChemAxon formula C5H8O2 ChemAxon inchi InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3 ChemAxon inchikey YRKCREAYFQTBPV-UHFFFAOYSA-N ChemAxon polar_surface_area 34.14 ChemAxon refractivity 26.09 ChemAxon polarizability 10.33 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7278b09c48> 31261 29001