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CHEBI:50569 - isobutyl acetate

ChEBI IDCHEBI:50569
ChEBI Nameisobutyl acetate
Stars
DefinitionThe acetate ester of isobutanol.
Last Modified21 January 2016
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC6H12O2
Net Charge0
Average Mass116.160
Monoisotopic Mass116.08373
SMILESCC(=O)OCC(C)C
InChIInChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3
InChIKeyGJRQTCIYDGXPES-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Biological Role:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
isobutyl acetate (CHEBI:50569) has functional parent isobutanol (CHEBI:46645)
isobutyl acetate (CHEBI:50569) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
isobutyl acetate (CHEBI:50569) is a acetate ester (CHEBI:47622)
IUPAC Names 
2-methylpropyl acetate
isobutyl acetate
Synonyms  Source
β-methylpropyl ethanoateNIST Chemistry WebBook
2-methyl-1-propyl acetateChemIDplus
i-butyl acetateNIST Chemistry WebBook
acétate d'isobutyleChemIDplus
acetic acid, isobutyl esterChemIDplus
acetic acid, 2-methylpropyl esterChemIDplus
Manual XrefsDatabases
Isobutyl_acetateWikipedia
Registry NumbersSources
Gmelin:101394Gmelin
Reaxys:1741909Reaxys
CAS:110-19-0NIST Chemistry WebBook
CAS:110-19-0ChemIDplus