Record Information
Version1.0
Creation date2015-10-09 22:27:40 UTC
Update date2017-01-19 02:36:11 UTC
FoodComEx IDPC000045
FoodDB RecordFDB000700
Chemical Information
NameUndecanoic acid
DescriptionUndecylic acid (systematically named undecanoic acid) is a flavouring ingredient. It is a naturally-occurring carboxylic acid with chemical formula CH3(CH2)9COOH (Wikipedia). Undecanoic acid is found in many foods, some of which are coconut, fruits, fats and oils, and rice.
CAS Number112-37-8
Structure
Thumb
Synonyms
SynonymSource
1-Decanecarboxylatebiospider
1-Decanecarboxylic acidbiospider
CH3-[CH2]9-COOHChEBI
Decane-1-carboxylic aciddb_source
FEMA 3245db_source
Hendecanoatebiospider
Hendecanoic aciddb_source
N-Undecanoatebiospider
N-Undecanoic acidbiospider
N-Undecoatebiospider
N-Undecoic acidbiospider
N-Undecylatebiospider
N-Undecylic acidbiospider
UDAChEBI
Undecanoatebiospider
UndecoateGenerator
Undecoic acidbiospider
Undecylatebiospider
Undecylic aciddb_source
UndekansaeureChEBI
Chemical FormulaC11H22O2
IUPAC nameundecanoic acid
InChI IdentifierInChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)
InChI KeyZDPHROOEEOARMN-UHFFFAOYSA-N
Isomeric SMILESCCCCCCCCCCC(O)=O
Average Molecular Weight186.2912
Monoisotopic Molecular Weight186.161979948
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
  • 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 logP4.42SANGSTER (1993)
Experimental Water Solubility0.0522 mg/mL at 30 oCYALKOWSKY,SH & DANNENFELSER,RM (1992)
Melting PointMp 28.2-28.6°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 3 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 2175AA
Cayman Chemical 19721
MetaSci HMDB0000947
Sigma-Aldrich HMDB0000947
Toronto Research Chemicals U788850