1.0 2016-05-19 02:21:13 UTC 2026-08-22 20:53:47 UTC 2-PENTANOL SmallMolecule 2-PENTANOL belongs to the alcohols and polyols, a subclass of organooxygen compounds within the organic compounds. This organic oxygen compound has the chemical formula C5H12O and an average molecular weight of 88.15 g/mol. Industrially, it is utilized as a fragrance, as well as a flavouring and nutrient. The compound is released from low-density polyethylene plastics and is found in 27 recorded sources. These sources include building and construction materials such as ceilings, and household cleaning and consumer products including bleaching agents, cigar cigarettes, non-electric simulated smoking devices, tobacco smoke filters, and other smoking requisites. It is also associated with food, food processing, and cookware, specifically regarding food contact materials and fermentation processes for beer, vinegar, wine or sparkling wine, and the preparation of malt. Additionally, it is found in electrical and electronic equipment, including antennas, amplifiers, auxiliary devices, discharge lamps, and cores yokes or armatures. Recorded exposure routes for 2-PENTANOL include oral, touch, and inhalation. xi-2-Pentanol C5H12O 88.1482 88.088815006 pentan-2-ol 2-pentanol 6032-29-7 CCCC(C)O InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3 JYVLIDXNZAXMDK-UHFFFAOYSA-N Organic compounds Organic oxygen compounds Organooxygen compounds Alcohols and polyols Secondary alcohols Hydrocarbon derivatives Aliphatic acyclic compound Hydrocarbon derivative Secondary alcohol Aliphatic acyclic compounds secondary alcohol Detected and Not Quantified logp 1.2 logp 1.18 ALOGPS logs -0.17 ALOGPS solubility 5.97e+01 g/l ALOGPS logp 1.22 ChemAxon pka_strongest_acidic 17.8 ChemAxon pka_strongest_basic -1.6 ChemAxon iupac pentan-2-ol ChemAxon average_mass 88.1482 ChemAxon mono_mass 88.088815006 ChemAxon smiles CCCC(C)O ChemAxon formula C5H12O ChemAxon inchi InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3 ChemAxon inchikey JYVLIDXNZAXMDK-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 26.55 ChemAxon polarizability 11.02 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72247fcbd0> 22386 21011