Record Information
Version1.0
Creation date2015-10-09 22:28:53 UTC
Update date2017-01-19 02:36:15 UTC
FoodComEx IDPC000154
FoodDB RecordFDB008309
Chemical Information
NameHexanedioic acid
DescriptionConstituent of beet juice, pork fat, guava fruit (Psidium guajava), papaya (Carica papaya) and raspberry (Rubus idaeus). Food acidulant Adipic acid is a compound of the class of carboxylic acids that is derived from oxidation of various fats. It is a white crystalline powder appearing as an acid in aqueous circumstances, though it is not highly soluble (wikipedia); Adipic acid, like most carboxylic acids, is a mild skin irritant. It is mildly toxic, with LD50 of 3600 mg/kg for oral ingestion by rats.; By far the majority of the 2.5 billion kg of adipic acid produced annually is used as monomer for the production of nylon by a polycondensation reaction with hexamethylene diamine forming 6,6-nylon. Other major applications also involve polymers: it is a monomer for production of Polyurethane and its esters are plasticizers, especially in PVC. Hexanedioic acid is found in many foods, some of which are common beet, red beetroot, fats and oils, and root vegetables.
CAS Number124-04-9
Structure
Thumb
Synonyms
SynonymSource
1, 4-Butanedicarboxylic acidbiospider
1,4-ButanedicarboxylateGenerator
1,4-Butanedicarboxylic acidbiospider
1,6-HEXANE-DIOIC ACIDbiospider
1,6-Hexanedioatebiospider
1,6-Hexanedioic acidbiospider
3385-41-9 (di-ammonium salt)biospider
7486-38-6 (di-hydrochloride salt)biospider
7486-39-7 (magnesium[1:1] salt)biospider
Acifloctinbiospider
Acinettenbiospider
Adi-purebiospider
Adi-pure high purity adipic acidbiospider
Adi-pure lga adipic acidbiospider
Adi-pure(r) high purity adipic acidbiospider
Adi-pure(r) lga adipic acidbiospider
Adilactettenbiospider
Adipatebiospider
Adipic aciddb_source
Adipinatebiospider
Adipinic acidbiospider
AdipinsaeureChEBI
Butane-1,4-dicarboxylic aciddb_source
e 355ChEBI
e-355ChEBI
E355db_source
FEMA 2011db_source
Hexan-1,6-dicarboxylatebiospider
Hexanedioatebiospider
Hexanedioc acidbiospider
Hexanedioic acid, sodium saltbiospider
INS no. 355ChEBI
Kyselina adipovaHMDB
Molten adipatebiospider
Molten adipic acidbiospider
Chemical FormulaC6H10O4
IUPAC namehexanedioic acid
InChI IdentifierInChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)
InChI KeyWNLRTRBMVRJNCN-UHFFFAOYSA-N
Isomeric SMILESOC(=O)CCCCC(O)=O
Average Molecular Weight146.1412
Monoisotopic Molecular Weight146.057908808
Chemical Taxonomy
Description Belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty acids and conjugates
Direct ParentMedium-chain fatty acids
Alternative Parents
Substituents
  • Medium-chain fatty acid
  • Dicarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logP0.08HANSCH,C ET AL. (1995)
Experimental Water Solubility30.8 mg/mL at 34 oCYALKOWSKY,SH & DANNENFELSER,RM (1992)
Melting PointMp 153° (149-150°)DFC
Foods of Origin
FoodContent Range AverageReference
FoodReference
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
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
AKSci G568
Glentham GK2348
MetaSci HMDB0000448
Sigma-Aldrich HMDB0000448
Toronto Research Chemicals A291590