Record Information
Version1.0
Creation date2018-05-02 12:40:14 UTC
Update date2018-05-04 14:16:31 UTC
FoodComEx IDPC001207
FoodDB RecordFDB008052
Chemical Information
NameMethyl heptanoate
DescriptionMethyl heptanoate 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. Fatty acid methyl esters are used to produce detergents and biodiesel. In fact, most of the molecules in biodiesel are fatty acid methyl esters, usually obtained from vegetable oils by transesterification. Methyl heptanoate is a very hydrophobic molecule, practically insoluble in water. Methyl heptanoate is a sweet, berry, and floral tasting compound. Methyl heptanoate has been detected in several different foods, such as asian pears, evergreen blackberries, pepper (C. frutescens), and pepper (spice).
CAS Number106-73-0
Structure
Thumb
Synonyms
SynonymSource
FEMA 2705db_source
Heptanoic acid methyl esterbiospider
Heptanoic acid, methyl esterbiospider
Methyl enanthatebiospider
Methyl ester of heptanoic acidbiospider
Methyl heptanoatedb_source
Methyl heptoatebiospider
Methyl heptylatebiospider
Methyl n-heptanoatebiospider
Methyl n-heptylatebiospider
Methyl oenanthylatebiospider
Chemical FormulaNot Available
IUPAC nameNot Available
InChI IdentifierInChI=1S/C8H16O2/c1-3-4-5-6-7-8(9)10-2/h3-7H2,1-2H3
InChI KeyXNCNNDVCAUWAIT-UHFFFAOYSA-N
Isomeric SMILESCCCCCCC(=O)OC
Average Molecular Weight144.2114
Monoisotopic Molecular Weight144.115029756
Chemical Taxonomy
ClassificationNot classified
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointFp -55.8°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 U098
Toronto Research Chemicals H998465