CHEBI:50569 - isobutyl acetate

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ChEBI Name isobutyl acetate
ChEBI ID CHEBI:50569
Definition The acetate ester of isobutanol.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C6H12O2
Net Charge 0
Average Mass 116.15828
Monoisotopic Mass 116.084
InChI InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3
InChIKey GJRQTCIYDGXPES-UHFFFAOYSA-N
SMILES CC(C)COC(C)=O
Metabolite of Species Details
Saccharomyces cerevisiae (NCBI:4932) Source: yeast.sf.net See: PubMed
Roles Classification
Biological Role(s): Saccharomyces cerevisiae metabolite
Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
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ChEBI Ontology
Outgoing 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 Sources
2-methyl-1-propyl acetate ChemIDplus
2-methylpropyl ethanoate NIST Chemistry WebBook
acétate d'isobutyle ChemIDplus
acetic acid, 2-methylpropyl ester ChemIDplus
acetic acid, isobutyl ester ChemIDplus
β-methylpropyl ethanoate NIST Chemistry WebBook
Essigsäureisobutylester ChEBI
i-butyl acetate NIST Chemistry WebBook
isobutyl ethanoate NIST Chemistry WebBook
Isobutylacetat ChEBI
Isobutylazetat ChEBI
Database Link Database
Isobutyl_acetate Wikipedia
View more database links
Registry Numbers Types Sources
101394 Gmelin Registry Number Gmelin
110-19-0 CAS Registry Number NIST Chemistry WebBook
110-19-0 CAS Registry Number ChemIDplus
1741909 Reaxys Registry Number Reaxys
1741909 Beilstein Registry Number Beilstein
Last Modified
21 January 2016