1.0 2016-05-19 03:59:41 UTC 2026-08-22 20:54:01 UTC 1,2-Pentanediol SmallMolecule 1,2-Pentanediol belongs to the alcohols and polyols, a subclass of organooxygen compounds within the organic compounds. This compound has the chemical formula C5H12O2 and an average molecular weight of 104.15 g/mol. In industrial settings, 1,2-Pentanediol is utilized as a solvent, a fragrance, and as a softener and conditioner. The compound is found in or released from ten recorded sources. These include drinking water and water supply systems, specifically drinking water. Within the category of food, food processing and cookware, it is associated with the processing of meats and fish. In household cleaning and consumer products, it is linked to tobacco product moisture control and pipe accessories. Additionally, it is found in electrical and electronic equipment, including magnets, loudspeakers, television systems, communication cables or conductors, and emergency protective devices. The recorded exposure route for this substance is oral. pentane-1,2-diol C5H12O2 104.149 104.083729626 pentane-1,2-diol pentane-1,2-diol 5343-92-0 CCCC(O)CO InChI=1S/C5H12O2/c1-2-3-5(7)4-6/h5-7H,2-4H2,1H3 WCVRQHFDJLLWFE-UHFFFAOYSA-N Organic compounds Organic oxygen compounds Organooxygen compounds Alcohols and polyols 1,2-diols Hydrocarbon derivatives Primary alcohols Secondary alcohols 1,2-diol Aliphatic acyclic compound Hydrocarbon derivative Primary alcohol Secondary alcohol Aliphatic acyclic compounds Detected and Not Quantified logp 0.2 logp -0.08 ALOGPS logs 0.57 ALOGPS solubility 3.89e+02 g/l ALOGPS logp 0.17 ChemAxon pka_strongest_acidic 14.27 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac pentane-1,2-diol ChemAxon average_mass 104.149 ChemAxon mono_mass 104.083729626 ChemAxon smiles CCCC(O)CO ChemAxon formula C5H12O2 ChemAxon inchi InChI=1S/C5H12O2/c1-2-3-5(7)4-6/h5-7H,2-4H2,1H3 ChemAxon inchikey WCVRQHFDJLLWFE-UHFFFAOYSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 28.1 ChemAxon polarizability 11.91 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bb3aad020> 93000 83953