CHEBI:31328 - butyl acetate

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ChEBI Name butyl acetate
ChEBI ID CHEBI:31328
Definition The acetate ester of butanol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C6H12O2
Net Charge 0
Average Mass 116.15828
Monoisotopic Mass 116.084
InChI InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3
InChIKey DKPFZGUDAPQIHT-UHFFFAOYSA-N
SMILES CCCCOC(C)=O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing butyl acetate (CHEBI:31328) has functional parent butan-1-ol (CHEBI:28885)
butyl acetate (CHEBI:31328) has role metabolite (CHEBI:25212)
butyl acetate (CHEBI:31328) is a acetate ester (CHEBI:47622)
Incoming 3-oxobutyl acetate (CHEBI:87390) has functional parent butyl acetate (CHEBI:31328)
IUPAC Name
butyl acetate
Synonyms Sources
1-acetoxybutane NIST Chemistry WebBook
1-butyl acetate NIST Chemistry WebBook
acétate de butyle ChEBI
acetic acid n-butyl ester ChemIDplus
acetic acid, butyl ester ChemIDplus
Butyl acetate KEGG COMPOUND
butyl ester of acetic acid NIST Chemistry WebBook
butyl ethanoate NIST Chemistry WebBook
Butylacetat ChemIDplus
Butylazetat ChEBI
CH3COO(CH2)3CH3 NIST Chemistry WebBook
Essigsäure-n-butylester ChEBI
Essigsäurebutylester ChEBI
n-butyl acetate ChemIDplus
n-butyl ethanoate NIST Chemistry WebBook
Database Links Databases
8JZ PDBeChem
C12304 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
123-86-4 CAS Registry Number KEGG COMPOUND
123-86-4 CAS Registry Number ChemIDplus
123-86-4 CAS Registry Number NIST Chemistry WebBook
1741921 Beilstein Registry Number ChemIDplus
240398 Gmelin Registry Number Gmelin
Last Modified
23 October 2015