1.0 2010-04-08 22:09:58 UTC 2015-07-20 22:46:22 UTC FDB012047 (±)-Malic acid Acidulant, antioxidant, flavouring agent, flavour enhancer. Not for use in baby foods (GRAS) (+-)-1-Hydroxy-1,2-ethanedicarboxylic acid (+-)-hydroxysuccinic acid (+-)-malic acid (+/-)-2-Hydroxysuccinic acid DL-hydroxybutanedioic acid DL-malate DL-malic acid Hydroxybutanedioic acid, (+-)- Malic acid, DL- Malic acid,(DL) R,S-malate R,S-malic acid C4H6O5 134.0874 134.021523302 (2S)-2-hydroxybutanedioic acid (-)-malic acid 617-48-1 O[C@@H](CC(O)=O)C(O)=O InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1 BJEPYKJPYRNKOW-REOHCLBHSA-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 Alpha hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Fatty acids and conjugates Hydrocarbon derivatives Organic oxides Secondary alcohols Short-chain hydroxy acids and derivatives Alcohol Aliphatic acyclic compound Alpha-hydroxy acid Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Dicarboxylic acid or derivatives Fatty acid Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Short-chain hydroxy acid malic acid logp -0.87 ALOGPS logs 0.21 ALOGPS solubility 2.18e+02 g/l ALOGPS melting_point Mp 131-133° logp -1.1 ChemAxon pka_strongest_acidic 3.2 ChemAxon pka_strongest_basic -3.9 ChemAxon iupac (2S)-2-hydroxybutanedioic acid ChemAxon average_mass 134.0874 ChemAxon mono_mass 134.021523302 ChemAxon smiles O[C@@H](CC(O)=O)C(O)=O ChemAxon formula C4H6O5 ChemAxon inchi InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1 ChemAxon inchikey BJEPYKJPYRNKOW-REOHCLBHSA-N ChemAxon polar_surface_area 94.83 ChemAxon refractivity 24.88 ChemAxon polarizability 10.93 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::NmrTwoD 972 Specdb::NmrTwoD 1174 Specdb::EiMs 2008 Specdb::MsIr 234 Specdb::MsIr 235 Specdb::MsIr 236 Specdb::NmrOneD 1115 Specdb::NmrOneD 1173 Specdb::NmrOneD 4687 Specdb::NmrOneD 4715 Specdb::NmrOneD 4825 Specdb::NmrOneD 4826 Specdb::NmrOneD 166495 Specdb::CMs 377 Specdb::CMs 378 Specdb::CMs 379 Specdb::CMs 2662 Specdb::CMs 30362 Specdb::CMs 30363 Specdb::CMs 30787 Specdb::CMs 32358 Specdb::CMs 37326 Specdb::CMs 152285 Specdb::CMs 1051705 Specdb::CMs 1051707 Specdb::CMs 1051708 Specdb::CMs 1051709 Specdb::CMs 1051710 Specdb::CMs 1051711 Specdb::CMs 1051713 Specdb::CMs 1051715 Specdb::CMs 1051717 Specdb::CMs 1051718 Specdb::CMs 1051720 Specdb::CMs 1051722 Specdb::CMs 1051724 Specdb::MsMs 239 Specdb::MsMs 240 Specdb::MsMs 241 Specdb::MsMs 3119 Specdb::MsMs 3120 Specdb::MsMs 3121 Specdb::MsMs 3122 Specdb::MsMs 3123 Specdb::MsMs 3124 Specdb::MsMs 3125 Specdb::MsMs 3126 Specdb::MsMs 178632 Specdb::MsMs 178633 Specdb::MsMs 178634 Specdb::MsMs 180951 Specdb::MsMs 180952 Specdb::MsMs 180953 Specdb::MsMs 438046 Specdb::MsMs 438047 Specdb::MsMs 438048 Specdb::MsMs 438049 Specdb::MsMs 438050 Specdb::MsMs 438782 Specdb::MsMs 440042 Specdb::MsMs 2254556