1.0 2010-04-08 22:04:57 UTC 2025-11-18 22:31:12 UTC FDB001425 Parasorbic acid Parasorbic acid, also known as parasorbate, is a member of the class of compounds known as dihydropyranones. Dihydropyranones are compounds containing a hydrogenated pyran ring which bears a ketone, and contains one double bond. Parasorbic acid is soluble (in water) and an extremely weak acidic compound (based on its pKa). Parasorbic acid can be found in american cranberry and rowanberry, which makes parasorbic acid a potential biomarker for the consumption of these food products. Parasorbic acid is the cyclic lactone of sorbic acid. Thermal treatment or hydrolysis converts the lactone to sorbic acid . Hexenollactone C6H8O2 112.1265 112.0524295 6-methyl-5,6-dihydro-2H-pyran-2-one parasorbic acid 10048-32-5 CC1CC=CC(=O)O1 InChI=1S/C6H8O2/c1-5-3-2-4-6(7)8-5/h2,4-5H,3H2,1H3 DYNKRGCMLGUEMN-UHFFFAOYSA-N belongs to the class of organic compounds known as dihydropyranones. Dihydropyranones are compounds containing a hydrogenated pyran ring which bears a ketone, and contains one double bond. Dihydropyranones Organic compounds Organoheterocyclic compounds Pyrans Pyranones and derivatives Aliphatic heteromonocyclic compounds Carbonyl compounds Enoate esters Hydrocarbon derivatives Lactones Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Aliphatic heteromonocyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dihydropyranone Enoate ester Hydrocarbon derivative Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxacycle logp 0.74 ALOGPS logs -0.62 ALOGPS solubility 2.66e+01 g/l ALOGPS melting_point < 25 oC logp 1.24 ChemAxon pka_strongest_acidic 17.46 ChemAxon pka_strongest_basic -6.8 ChemAxon iupac 6-methyl-5,6-dihydro-2H-pyran-2-one ChemAxon average_mass 112.1265 ChemAxon mono_mass 112.0524295 ChemAxon smiles CC1CC=CC(=O)O1 ChemAxon formula C6H8O2 ChemAxon inchi InChI=1S/C6H8O2/c1-5-3-2-4-6(7)8-5/h2,4-5H,3H2,1H3 ChemAxon inchikey DYNKRGCMLGUEMN-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 30.42 ChemAxon polarizability 11.39 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1221526 Specdb::MsMs 1221527 Specdb::MsMs 1221528 Specdb::MsMs 1337188 Specdb::MsMs 1337189 Specdb::MsMs 1337190 Specdb::MsMs 3597331 Specdb::MsMs 3597332 Specdb::MsMs 3597333 Specdb::MsMs 3597334 Specdb::MsMs 3597335 Specdb::MsMs 3597336 American cranberry Type 1 specific Vaccinium macrocarpon 13750 8.4 8.4 8.4 mg/100 g Rowanberry Type 1 specific Sorbus aucuparia 36599 Allelochemic 41 Carcinogenic 762 A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities. Pesticide 1210 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. Protisticide 1266