Record Information
Version1.0
Creation date2018-05-02 12:41:50 UTC
Update date2018-05-04 14:16:21 UTC
FoodComEx IDPC001208
FoodDB RecordFDB003305
Chemical Information
NameMethyl nonanoate
DescriptionFlavouring ingredient. Isol. from cloves, hops, hyssop oil, vanilla and some wines. Methyl nonanoate is found in many foods, some of which are cereals and cereal products, fruits, herbs and spices, and alcoholic beverages.
CAS Number1731-84-6
Structure
Thumb
Synonyms
SynonymSource
FEMA 2724db_source
Methyl ester nonanoateGenerator
Methyl ester nonanoic acidbiospider
Methyl n-nonanoatebiospider
Methyl N-nonanoic acidGenerator
Methyl nonanoatebiospider
Methyl nonylateChEBI
Methyl nonylic acidGenerator
Methyl pelargonatebiospider
Methyl pelargonic acidGenerator
Nonanoic acid methyl esterbiospider
Pelargonate methyl esterGenerator
Pelargonic acid methyl esterbiospider
Chemical FormulaC10H20O2
IUPAC namemethyl nonanoate
InChI IdentifierInChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-9H2,1-2H3
InChI KeyIJXHLVMUNBOGRR-UHFFFAOYSA-N
Isomeric SMILESCCCCCCCCC(=O)OC
Average Molecular Weight172.2646
Monoisotopic Molecular Weight172.146329884
Chemical Taxonomy
DescriptionThis compound belongs to the class of organic compounds known as fatty acid methyl esters. These 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
Substituents
  • 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
PropertyValueReference
Experimental logP4.32TEWARI,YB ET AL. (1982)
Experimental Water Solubility0.0229 mg/mL at 25 oCWASIK,SP et al. (1981)
Melting PointMp -35°DFC
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity Available1 to 2 ml
Delivery Time2 weeks
Storage Formliquid
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 8243AL
Toronto Research Chemicals M225585