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CHEBI:87303 - ethyl isobutyrate

Default Structure
ChEBI IDCHEBI:87303
ChEBI Nameethyl isobutyrate
Stars
DefinitionA fatty acid ethyl ester obtained by the formal condensation of isobutyric acid with ethanol.
Last Modified30 October 2023
Submitternamrata
DownloadsMolfile
FormulaC6H12O2
Net Charge0
Average Mass116.160
Monoisotopic Mass116.08373
SMILESCCOC(=O)C(C)C
InChIInChI=1S/C6H12O2/c1-4-8-6(7)5(2)3/h5H,4H2,1-3H3
InChIKeyWDAXFOBOLVPGLV-UHFFFAOYSA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
ethyl isobutyrate (CHEBI:87303) has functional parent isobutyric acid (CHEBI:16135)
ethyl isobutyrate (CHEBI:87303) has role plant metabolite (CHEBI:76924)
ethyl isobutyrate (CHEBI:87303) is a fatty acid ethyl ester (CHEBI:78206)
IUPAC Name 
ethyl 2-methylpropanoate
Synonyms  Source
2-methylpropanoic acid ethyl esterChEBI
2-methylpropionic acid ethyl esterChEBI
ethyl 2,2-dimethylacetateChemIDplus
ethyl 2-methyl-1-propanoateChEBI
ethyl 2-methylpropionateChEBI
ethyl isobutanoateChEBI
Manual XrefsDatabases
C00053169KNApSAcK
FDB003278FooDB
HMDB0031248HMDB
Registry NumbersSources
Reaxys:773846Reaxys
CAS:97-62-1ChemIDplus
CAS:97-62-1NIST Chemistry WebBook
Citations