Record Information
Version1.0
Creation date2018-05-02 12:05:35 UTC
Update date2018-05-04 14:25:30 UTC
FoodComEx IDPC001177
FoodDB RecordNot Available
Chemical Information
NameBehenic acid
DescriptionBehenic acid (also docosanoic acid) is a normal carboxylic acid, the saturated fatty acid with formula C21H43COOH. In appearance, it consists of white to cream color crystals or powder with a melting point of 80°C and boiling point of 306°C. Behenic acid is found in many foods, some of which are macadamia nut, opium poppy, tamarind, and black elderberry.
CAS Number112-85-6
Structure
Thumb
Synonyms
SynonymSource
1-DocosanoateGenerator
1-Docosanoic acidChEBI
b 95HMDB
BehenateGenerator
BehensaeureChEBI
CH3-[CH2]20-COOHChEBI
DocosanateGenerator
Docosanic acidChEBI
DocosanoateChEBI
DocosansaeureChEBI
DocosoateGenerator
Docosoic acidChEBI
DokosansaeureChEBI
Edenor C 22-85RHMDB
EXL 5HMDB
Glycon b 70HMDB
Hydrofol 2022-55HMDB
Hydrofol acid 560HMDB
N-DocosanoateGenerator
N-Docosanoic acidChEBI
Prifac 2987HMDB
Chemical FormulaNot Available
IUPAC nameNot Available
InChI IdentifierInChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H,23,24)
InChI KeyUKMSUNONTOPOIO-UHFFFAOYSA-N
Isomeric SMILESCCCCCCCCCCCCCCCCCCCCCC(O)=O
Average Molecular Weight340.5836
Monoisotopic Molecular Weight340.334130652
Chemical Taxonomy
Description Belongs to the class of organic compounds known as very long-chain fatty acids. These are fatty acids with an aliphatic tail that contains at least 22 carbon atoms.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty acids and conjugates
Direct ParentVery long-chain fatty acids
Alternative Parents
Substituents
  • Very long-chain fatty acid
  • Straight chain fatty acid
  • Monocarboxylic 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 logPNot Available
Experimental Water SolubilityNot Available
Melting PointNot Available
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity Available1 to 2 mg
Delivery Time2 weeks
Storage Formpowder
Storage Conditions-18°C
StabilityNot Available
Purityunknown
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Augustin ScalbertInternational Agency for Research on Cancer (IARC), Biomarkers Group, 150 cours Albert Thomas, Lyon, FR, 69372scalberta@iarc.fr
Commercial Vendors
AKSci M008
Cayman Chemical 9000338
Cayman Chemical HMDB0000944
MetaSci HMDB0000944
Toronto Research Chemicals B119580