1.0 2016-05-19 02:08:00 UTC 2026-08-23 21:12:16 UTC 4-HEPTANONE SmallMolecule 4-HEPTANONE is an organic oxygen compound with the formula C7H14O and an average molecular weight of 114.19 g/mol. 4-HEPTANONE belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. In industrial applications, the compound is utilized as a fragrance, as well as a flavouring and nutrient. The compound is identified in 30 recorded sources across several categories. Within the food, food processing and cookware sector, it is associated with food contact materials, the processing of meats, the preparation of vinegar, and fermentation processes for beer. In the building and construction sector, it is found in fencing, ladders, ceilings, and tents or canopies. It is also released from household cleaning and consumer products, including bleaching agents, cigar cigarettes, tobacco pipes, pipe accessories, and non electric simulated smoking devices. Additionally, it is present in electrical and electronic equipment, such as antennas, auxiliary devices, contacts, coils, and cores yokes or armatures, among 11 other devices. Recorded routes of exposure for 4-HEPTANONE include oral ingestion, inhalation, and touch. Di(N-propyl) ketone C7H14O 114.1855 114.10446507 heptan-4-one propyl ketone 123-19-3 CCCC(=O)CCC InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3 HCFAJYNVAYBARA-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 Detected and Not Quantified logp 1.6 logp 2.06 ALOGPS logs -1.40 ALOGPS solubility 4.51e+00 g/l ALOGPS logp 2.4 ChemAxon pka_strongest_basic -7.3 ChemAxon iupac heptan-4-one ChemAxon average_mass 114.1855 ChemAxon mono_mass 114.10446507 ChemAxon smiles CCCC(=O)CCC ChemAxon formula C7H14O ChemAxon inchi InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3 ChemAxon inchikey HCFAJYNVAYBARA-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 34.65 ChemAxon polarizability 14.21 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72267158c8> 31246 28986