Record Information
Creation date2018-05-02 12:39:33 UTC
Update date2018-05-04 14:19:35 UTC
FoodComEx IDPC001206
FoodDB RecordFDB003337
Chemical Information
NameMethyl caprylate
DescriptionMethyl caprylate is a flavouring agent. Present in many fruits, e.g. apple, apricot, grape, blackberry, cherimoya etc. It is also found in tea, chinese cinnamon and pepper (spice).
CAS Number111-11-5
Caprylic acid methyl esterbiospider
Fatty acids, C6-12, Me estersbiospider
FEMA 2728db_source
Methyl caprylatedb_source
Methyl ester octanoic acidbiospider
Methyl ester of octanoic acidbiospider
Methyl n-octanoatebiospider
Methyl octanoatedb_source
Methyl octylatebiospider
N-caprylic acid methyl esterbiospider
Octanoic acid methyl esterbiospider
Octanoic acid, methyl esterbiospider
Uniphat A20biospider
Chemical FormulaC9H18O2
IUPAC namemethyl octanoate
InChI IdentifierInChI=1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3
Average Molecular Weight158.238
Monoisotopic Molecular Weight158.13067982
Chemical Taxonomy
Description Belongs to the class of organic compounds known as fatty acid methyl esters. Fatty acid methyl esters are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl group.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty acid esters
Direct ParentFatty acid methyl esters
Alternative Parents
  • Fatty acid methyl ester
  • Methyl ester
  • Carboxylic acid ester
  • Monocarboxylic acid or derivatives
  • 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
Experimental logPNot Available
Experimental Water Solubility0.0644 mg/mL at 20 oCYALKOWSKY,SH & DANNENFELSER,RM (1992)
Melting Point-40 oC
Foods of Origin
FoodContent Range AverageReference
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
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,
Commercial Vendors
AKSci G191
AKSci J10159
Toronto Research Chemicals M324490