1.0 2016-05-19 02:30:15 UTC 2026-05-14 18:59:08 UTC 2-UNDECANONE SmallMolecule 2-UNDECANONE belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. This organic oxygen compound has the chemical formula C11H22O and an average molecular weight of 170.29 g/mol. Industrially, it is utilized as a fragrance, as well as a flavouring and nutrient. The compound has one recorded protein target, Acyl-coenzyme A thioesterase 13 (ACOT13). The substance is found in or released from 22 recorded sources. Within food, food processing, and cookware, it is associated with food preservation, brew kettles, fermentation processes for beer, food contact materials, the preparation of vinegar, and three additional sources. In the category of household cleaning and consumer products, it is linked to bleaching agents, cigar cigarettes, other smoking requisites, pipe accessories, perfumes within detergents and soaps, and three others. Regarding electrical and electronic equipment, it is found in antennas, electrodes, hybrid capacitors, and conductors or conductive bodies characterised by the conductive materials, as well as electrically stimulated smoking devices. In agriculture and land management, it is found in pesticides. Recorded exposure routes include touch, oral, and inhalation. In relation to plastics, 2-UNDECANONE is present in polyethylene terephthalate and polystyrene, and it is released in polypropylene. It has not been detected in polyamide, while results for poly(ether-sulfone) remain inconclusive. Pesticide undecan-2-one Undecan-2-one C11H22O 170.2918 170.167065326 undecan-2-one undecan-2-one 112-12-9 CCCCCCCCCC(C)=O InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3 KYWIYKKSMDLRDC-UHFFFAOYSA-N Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Ketones Hydrocarbon derivatives Organic oxides Aliphatic acyclic compound Hydrocarbon derivative Ketone Organic oxide Aliphatic acyclic compounds Oxygenated hydrocarbons Oxygenated hydrocarbons a small molecule dialkyl ketone methyl ketone Detected and Not Quantified logp 3.92 logp 4.25 ALOGPS logs -4.16 ALOGPS solubility 1.18e-02 g/l ALOGPS logp 3.92 ChemAxon pka_strongest_acidic 19.64 ChemAxon pka_strongest_basic -7.3 ChemAxon iupac undecan-2-one ChemAxon average_mass 170.2918 ChemAxon mono_mass 170.167065326 ChemAxon smiles CCCCCCCCCC(C)=O ChemAxon formula C11H22O ChemAxon inchi InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3 ChemAxon inchikey KYWIYKKSMDLRDC-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 53.03 ChemAxon polarizability 22.66 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7225d73900> DB08688 8163 7871 BE0004376