1.0 2016-05-19 02:30:12 UTC 2026-05-14 18:02:54 UTC UNDECANAL SmallMolecule UNDECANAL 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. In industrial applications, it is utilized as a fragrance, as well as a flavouring and nutrient. The compound is found in or released from 27 recorded sources. These include household cleaning and consumer products such as soap detergents, bleaching agents, pipe accessories, cigar cigarettes, and perfumes within detergents and soaps. It is associated with food, food processing and cookware through food contact materials, food preservation, the treatment of hops, and the preparation of wort, wine, or sparkling wine. Additional sources include drinking water, indoor air, and various electrical and electronic equipment, such as antennas, electric switches, discharge lamps, auxiliary devices, and conductors or conductive bodies characterised by the conductive materials. Exposure routes for the substance include oral, inhalation, and touch. Regarding plastics, UNDECANAL is present in polystyrene and is released in polyethylene terephthalate. Results for its presence in polypropylene remain inconclusive. C11H22O 170.2918 170.167065326 undecanal undecanal 112-44-7 CCCCCCCCCCC=O InChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h11H,2-10H2,1H3 KMPQYAYAQWNLME-UHFFFAOYSA-N Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Medium-chain aldehydes Alpha-hydrogen aldehydes Hydrocarbon derivatives Organic oxides Aliphatic acyclic compound Alpha-hydrogen aldehyde Hydrocarbon derivative Medium-chain aldehyde Organic oxide Aliphatic acyclic compounds Fatty aldehydes fatty aldehyde Detected and Not Quantified logp 3.88 logp 4.98 ALOGPS logs -4.93 ALOGPS solubility 2.01e-03 g/l ALOGPS logp 3.88 ChemAxon pka_strongest_acidic 17.79 ChemAxon pka_strongest_basic -6.9 ChemAxon iupac undecanal ChemAxon average_mass 170.2918 ChemAxon mono_mass 170.167065326 ChemAxon smiles CCCCCCCCCCC=O ChemAxon formula C11H22O ChemAxon inchi InChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h11H,2-10H2,1H3 ChemAxon inchikey KMPQYAYAQWNLME-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 53.15 ChemAxon polarizability 22.77 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3baf9e2130> DB04093 8186 7894