Record Information
Version1.0
Creation date2015-10-09 22:27:16 UTC
Update date2017-01-19 02:36:09 UTC
FoodComEx IDPC000008
FoodDB RecordFDB003336
Chemical Information
NameOctanoic acid
DescriptionWidespread in plant oils, free and as glyceridesand is also present in apple, banana, orange juice and peel, pineapple, cognac, calamus, blue cheeses, cheddar cheese, Swiss cheese, feta cheese and other cheeses. Flavouring agent, defoamer, lubricant, binder and antimicrobial preservative in cheese wraps Caprylic acid is the common name for the eight-carbon saturated fatty acid known by the systematic name octanoic acid. It is found naturally in the milk of various mammals, and it is a minor constituent of coconut oil and palm kernel oil. It is an oily liquid that is minimally soluble in water with a slightly unpleasant rancid-like smell. Octanoic acid is found in many foods, some of which are salad, mango, ice cream, and anise.
CAS Number124-07-2
Structure
Thumb
Synonyms
SynonymSource
1-Heptanecarboxylatebiospider
1-Heptanecarboxylic acidbiospider
1-Octanoic acidbiospider
8:0ChEBI
Acide octanoiqueChEBI
Acido octanoicoChEBI
Acidum octanociumChEBI
C8:0ChEBI
Caprylatebiospider
Caprylic aciddb_source
Capryloatebiospider
CH3-[CH2]6-COOHChEBI
Emery 657HMDB
Enantic acidbiospider
FEMA 2799db_source
Heptane-1-carboxylic aciddb_source
KaprylsaeureChEBI
Kortacid 0899HMDB
Lunac 8-95HMDB
Lunac 8-98HMDB
N-Caprylatebiospider
N-Caprylic acidbiospider
N-Octanoatebiospider
N-Octanoic acidbiospider
N-Octoatebiospider
N-Octoic acidbiospider
N-Octylatebiospider
N-Octylic aciddb_source
Neo-fat 8HMDB
Neo-fat 8SHMDB
Octanoatebiospider
OCTANOate (caprylate)Generator
OCTANOIC ACID (caprylIC ACID)ChEBI
OctansaeureChEBI
Octic acidbiospider
OctoateGenerator
Octoic aciddb_source
Octylatebiospider
Octylic acidbiospider
Prifac 2901HMDB
Chemical FormulaC8H16O2
IUPAC nameoctanoic acid
InChI IdentifierInChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)
InChI KeyWWZKQHOCKIZLMA-UHFFFAOYSA-N
Isomeric SMILESCCCCCCCC(O)=O
Average Molecular Weight144.2114
Monoisotopic Molecular Weight144.115029756
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 logP3.05HANSCH,C ET AL. (1995)
Experimental Water Solubility0.789 mg/mL at 30 oCYALKOWSKY,SH & DANNENFELSER,RM (1992)
Melting PointMp 16°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 M789
MetaSci HMDB0000482
Sigma-Aldrich HMDB0000482
Toronto Research Chemicals O237880