1.0 2016-05-19 03:02:43 UTC 2026-08-22 18:13:25 UTC 2-Butyne-1,4-diol SmallMolecule 2-Butyne-1,4-diol is an organic compound with the chemical formula C4H6O2 and an average molecular weight of 86.09 g/mol. 2-Butyne-1,4-diol belongs to the alcohols and polyols, a subclass of organooxygen compounds within the organic compounds. This substance has been identified in or released from 18 recorded sources. These sources include drinking water and water supply, specifically drinking water. In the context of food, food processing and cookware, it is associated with fermentation processes for beer. Within household cleaning and consumer products, it is found in soap detergents. Additionally, it is linked to electrical and electronic equipment, including antennas, auxiliary devices, contacts, cores yokes or armatures, conductors or conductive bodies characterised by the conductive materials, and 10 other sources. The recorded exposure route for this compound is oral. but-2-yne-1,4-diol C4H6O2 86.09 86.036779433 but-2-yne-1,4-diol butynediol 110-65-6 OCC#CCO InChI=1S/C4H6O2/c5-3-1-2-4-6/h5-6H,3-4H2 DLDJFQGPPSQZKI-UHFFFAOYSA-N Organic compounds Organic oxygen compounds Organooxygen compounds Alcohols and polyols Primary alcohols Hydrocarbon derivatives Aliphatic acyclic compound Hydrocarbon derivative Primary alcohol Aliphatic acyclic compounds a small molecule butynediol Detected and Not Quantified logp -1.1 logp -0.90 ALOGPS logs -1.26 ALOGPS solubility 4.75e+00 g/l ALOGPS logp -0.73 ChemAxon pka_strongest_acidic 13.94 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac but-2-yne-1,4-diol ChemAxon average_mass 86.09 ChemAxon mono_mass 86.036779433 ChemAxon smiles OCC#CCO ChemAxon formula C4H6O2 ChemAxon inchi InChI=1S/C4H6O2/c5-3-1-2-4-6/h5-6H,3-4H2 ChemAxon inchikey DLDJFQGPPSQZKI-UHFFFAOYSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 23.12 ChemAxon polarizability 8.88 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bbf9c2000> 8066 7775