Record Information
Creation date2015-10-09 22:28:00 UTC
Update date2017-01-19 02:36:12 UTC
FoodComEx IDPC000074
FoodDB RecordFDB008117
Chemical Information
NamePropanedioic acid
DescriptionMalonic acid, also known as malonate or H2MALO, belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing two carboxylic acid groups. Malonic acid is a very hydrophobic molecule, practically insoluble in water. Malonic acid exists in all living species, ranging from bacteria to humans. In humans, malonic acid is involved in fatty acid biosynthesis. Malonic acid has also been detected, but not quantified, in several different foods, such as red beetroots, corns, scarlet beans, common beets, and cow milks. Industrially, it is used in a number of manufacturing processes as a high value specialty chemical, including the electronics industry, flavors and fragrances industry, specialty solvents, polymer crosslinking, and pharmaceutical industry.
CAS Number141-82-2
1,3-Propanedioic acidbiospider
alpha,Omega-dicarboxylic acidHMDB
Carboxyacetic acidHMDB
Dicarboxylic acidHMDB
Kyselina malonovaHMDB
Malonate dicarboxylic acidHMDB
Malonic acidChEBI
Malonic acid, 8CIdb_source
Metahnedicarboxylic acidHMDB
Methanedicarbonic acidbiospider
Methanedicarboxylic aciddb_source
Propanedioic acidbiospider
Propanedioic acid dithallium saltHMDB
Propanediolic acidHMDB
Thallium malonateHMDB
Chemical FormulaC3H4O4
IUPAC namepropanedioic acid
InChI IdentifierInChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
Isomeric SMILESOC(=O)CC(O)=O
Average Molecular Weight104.0615
Monoisotopic Molecular Weight104.010958616
Chemical Taxonomy
Description Belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassDicarboxylic acids and derivatives
Direct ParentDicarboxylic acids and derivatives
Alternative Parents
  • 1,3-dicarbonyl compound
  • Dicarboxylic acid or derivatives
  • Carboxylic acid
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
Experimental logP-0.81HANSCH,C ET AL. (1995)
Experimental Water Solubility763 mg/mL at 25 oCYALKOWSKY,SH & DANNENFELSER,RM (1992)
Melting PointMp 135.6°DFC
Foods of Origin
FoodContent Range AverageReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 2 g
Delivery TimeNot Available
Storage Formsolid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez
Commercial Vendors
Glentham GK0631
Human Metabolome Library HMDB0000691
MetaSci HMDB0000691
Toronto Research Chemicals M158005