Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 04:58:38 UTC
Update Date2022-08-31 22:37:41 UTC
MiMeDB IDMMDBc0033679
Metabolite Identification
Common NameMethyl butanoate
DescriptionMethyl butyrate belongs to the class of organic compounds known as organic acid methyl esters. Organic acid methyl esters are compounds containing an organic acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R= aliphatic tail or organyl group and R'=methyl group. Methyl butyrate is a very hydrophobic molecule, practically insoluble in water, and relatively neutral.
Structure
Synonyms
ValueSource
Methyl butyric acidGenerator
Butanoic acid, methyl esterHMDB
Butyric acid, methyl esterHMDB
Methyl butanoateHMDB
Methyl ester OF butanoic acidHMDB
Methyl N-butanoateHMDB
Methyl N-butyrateHMDB
N-Butyric acid methyl esterHMDB
Methyl butanoic acidGenerator
Chemical FormulaC5H10O2
Average Molecular Weight102.1317
Monoisotopic Molecular Weight102.068079564
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry Number623-42-7
SMILESNot Available
InChI Identifier
InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3
InChI KeyUUIQMZJEGPQKFD-UHFFFAOYSA-N