1.02010-04-08 22:09:58 UTC2015-07-20 22:46:22 UTCFDB012047(±)-Malic acidAcidulant, antioxidant, flavouring agent, flavour enhancer. Not for use in baby foods (GRAS)(+-)-1-Hydroxy-1,2-ethanedicarboxylic acid(+-)-hydroxysuccinic acid(+-)-malic acid(+/-)-2-Hydroxysuccinic acidDL-hydroxybutanedioic acidDL-malateDL-malic acidHydroxybutanedioic acid, (+-)-Malic acid, DL-Malic acid,(DL)R,S-malateR,S-malic acidC4H6O5134.0874134.021523302(2S)-2-hydroxybutanedioic acid(-)-malic acid617-48-1O[C@@H](CC(O)=O)C(O)=OInChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1BJEPYKJPYRNKOW-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 derivativesOrganic compoundsOrganic acids and derivativesHydroxy acids and derivativesBeta hydroxy acids and derivativesAliphatic acyclic compoundsAlpha hydroxy acids and derivativesCarbonyl compoundsCarboxylic acidsDicarboxylic acids and derivativesFatty acids and conjugatesHydrocarbon derivativesOrganic oxidesSecondary alcoholsShort-chain hydroxy acids and derivativesAlcoholAliphatic acyclic compoundAlpha-hydroxy acidBeta-hydroxy acidCarbonyl groupCarboxylic acidCarboxylic acid derivativeDicarboxylic acid or derivativesFatty acidHydrocarbon derivativeOrganic oxideOrganic oxygen compoundOrganooxygen compoundSecondary alcoholShort-chain hydroxy acidmalic acidlogp-0.87logs0.21solubility2.18e+02 g/lmelting_pointMp 131-133°logp-1.1pka_strongest_acidic3.2pka_strongest_basic-3.9iupac(2S)-2-hydroxybutanedioic acidaverage_mass134.0874mono_mass134.021523302smilesO[C@@H](CC(O)=O)C(O)=OformulaC4H6O5inchiInChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1inchikeyBJEPYKJPYRNKOW-REOHCLBHSA-Npolar_surface_area94.83refractivity24.88polarizability10.93rotatable_bond_count3acceptor_count5donor_count3physiological_charge-2formal_charge0Specdb::MsIr234Specdb::MsIr235Specdb::MsIr236Specdb::NmrTwoD972Specdb::NmrTwoD1174Specdb::EiMs2008Specdb::CMs377Specdb::CMs378Specdb::CMs379Specdb::CMs2662Specdb::CMs30362Specdb::CMs30363Specdb::CMs30787Specdb::CMs32358Specdb::CMs37326Specdb::CMs152285Specdb::CMs1051705Specdb::CMs1051707Specdb::CMs1051708Specdb::CMs1051709Specdb::CMs1051710Specdb::CMs1051711Specdb::CMs1051713Specdb::CMs1051715Specdb::CMs1051717Specdb::CMs1051718Specdb::CMs1051720Specdb::CMs1051722Specdb::CMs1051724Specdb::NmrOneD1115Specdb::NmrOneD1173Specdb::NmrOneD4687Specdb::NmrOneD4715Specdb::NmrOneD4825Specdb::NmrOneD4826Specdb::NmrOneD166495Specdb::MsMs239Specdb::MsMs240Specdb::MsMs241Specdb::MsMs3119Specdb::MsMs3120Specdb::MsMs3121Specdb::MsMs3122Specdb::MsMs3123Specdb::MsMs3124Specdb::MsMs3125Specdb::MsMs3126Specdb::MsMs178632Specdb::MsMs178633Specdb::MsMs178634Specdb::MsMs180951Specdb::MsMs180952Specdb::MsMs180953Specdb::MsMs438046Specdb::MsMs438047Specdb::MsMs438048Specdb::MsMs438049Specdb::MsMs438050Specdb::MsMs438782Specdb::MsMs440042Specdb::MsMs2254556