Record Information
Version1.0
Creation date2015-10-09 22:28:14 UTC
Update date2017-01-19 02:36:12 UTC
FoodComEx IDPC000096
FoodDB RecordFDB008051
Chemical Information
NameHeptanoic acid
DescriptionPresent in essential oils, e.g. violet leaf oil, palm oiland is also present in apple, feijoa fruit, strawberry jam, clove bud, ginger, black tea, morello cherry, grapes, rice bran and other foodstuffs. Flavouring ingredient. It is used as one of the components in washing solns. used to assist lye peeling of fruit and vegetables Heptanoic acid, also called enanthic acid, is an organic compound composed of a seven-carbon chain terminating in a carboxylic acid. It is an oily liquid with an unpleasant, rancid odor. It contributes to the odor of some rancid oils. It is slightly soluble in water, but very soluble in ethanol and ether.; Heptanoic acid, also called enanthic acid, is an organic compound composed of a seven-carbon chain terminating in a carboxylic acid. It is an oily liquid with an unpleasant, rancid odor. It contributes to the odor of some rancid oils. It is slightly soluble in water, but well soluble in ethanol and ether.; It is also one of many additives in cigarettes. Heptanoic acid is found in many foods, some of which are soup, sauce, scallop, and leek.
CAS Number111-14-8
Structure
Thumb
Synonyms
SynonymSource
1-heptanoic acidbiospider
1-Hexanecarboxylatebiospider
1-Hexanecarboxylic acidbiospider
1-Hexanecarboxylic acid atebiospider
Bacterio-chlorophyllsbiospider
CH3-[CH2]5-COOHbiospider
Enanthatebiospider
Enanthic aciddb_source
Enanthic anhydridebiospider
Enanthylatebiospider
Enanthylic aciddb_source
FEMA 3348db_source
Heptanoatebiospider
Heptanoic acid (enantic acid)biospider
HeptansaeureChEBI
Hepthlic acidbiospider
Heptoatebiospider
Heptoic aciddb_source
Heptylatebiospider
Heptylic aciddb_source
Hexacid C-7biospider
Hexane-1-carboxylic aciddb_source
N-heptanoatebiospider
N-heptanoic acidbiospider
N-heptoatebiospider
N-heptoic acidbiospider
N-heptylatebiospider
N-heptylic acidbiospider
Oenanthatebiospider
Oenanthic aciddb_source
OenanthsaeureChEBI
Oenanthylatebiospider
Oenanthylic aciddb_source
SHVbiospider
Chemical FormulaC7H14O2
IUPAC nameheptanoic acid
InChI IdentifierInChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)
InChI KeyMNWFXJYAOYHMED-UHFFFAOYSA-N
Isomeric SMILESCCCCCCC(O)=O
Average Molecular Weight130.1849
Monoisotopic Molecular Weight130.099379692
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 logP2.42SANGSTER (1994)
Experimental Water Solubility2.82 mg/mL at 25 oCYALKOWSKY,SH & DANNENFELSER,RM (1992)
Melting PointMp -9°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 G486
MetaSci HMDB0000666
Sigma-Aldrich HMDB0000666
Toronto Research Chemicals H998455