1.0 2010-04-08 22:06:08 UTC 2025-11-18 22:55:34 UTC FDB004227 Isopropyl tartaric acid Isopropyl tartaric acid belongs to beta hydroxy acids and derivatives class of compounds. Those are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom. Isopropyl tartaric acid is soluble (in water) and a weakly acidic compound (based on its pKa). Isopropyl tartaric acid can be found in oat, which makes isopropyl tartaric acid a potential biomarker for the consumption of this food product. C7H12O6 192.167 192.063388106 (2R,3R)-2,3-dihydroxy-4-oxo-4-(propan-2-yloxy)butanoic acid (2R,3R)-2,3-dihydroxy-4-isopropoxy-4-oxobutanoic acid [H][C@](O)(C(O)=O)[C@@]([H])(O)C(=O)OC(C)C InChI=1S/C7H12O6/c1-3(2)13-7(12)5(9)4(8)6(10)11/h3-5,8-9H,1-2H3,(H,10,11)/t4-,5-/m1/s1 SSZYZSRPAKZEIB-RFZPGFLSSA-N belongs to the class of organic compounds known as beta hydroxy acids and derivatives. Beta hydroxy acids and derivatives are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom. Beta hydroxy acids and derivatives Organic compounds Organic acids and derivatives Hydroxy acids and derivatives Beta hydroxy acids and derivatives Aliphatic acyclic compounds 1,2-diols Alpha hydroxy acids and derivatives Carbonyl compounds Carboxylic acid esters Carboxylic acids Dicarboxylic acids and derivatives Fatty acid esters Hydrocarbon derivatives Monosaccharides Organic oxides Secondary alcohols Short-chain hydroxy acids and derivatives 1,2-diol Alcohol Aliphatic acyclic compound Alpha-hydroxy acid Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Fatty acid ester Fatty acyl Hydrocarbon derivative Monosaccharide Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Short-chain hydroxy acid logp -0.79 ALOGPS logs -0.23 ALOGPS solubility 1.12e+02 g/l ALOGPS logp -0.91 ChemAxon pka_strongest_acidic 3.49 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac (2R,3R)-2,3-dihydroxy-4-oxo-4-(propan-2-yloxy)butanoic acid ChemAxon average_mass 192.167 ChemAxon mono_mass 192.063388106 ChemAxon smiles [H][C@](O)(C(O)=O)[C@@]([H])(O)C(=O)OC(C)C ChemAxon formula C7H12O6 ChemAxon inchi InChI=1S/C7H12O6/c1-3(2)13-7(12)5(9)4(8)6(10)11/h3-5,8-9H,1-2H3,(H,10,11)/t4-,5-/m1/s1 ChemAxon inchikey SSZYZSRPAKZEIB-RFZPGFLSSA-N ChemAxon polar_surface_area 104.06 ChemAxon refractivity 40.15 ChemAxon polarizability 17.67 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 88215 Specdb::MsMs 88216 Specdb::MsMs 88217 Specdb::MsMs 150906 Specdb::MsMs 150907 Specdb::MsMs 150908 Specdb::MsMs 3600158 Specdb::MsMs 3600159 Specdb::MsMs 3600160 Specdb::MsMs 3601124 Specdb::MsMs 3601125 Specdb::MsMs 3601126 Oat Type 1 specific Avena sativa 4498