CHEBI:87683 - isobutyl butyrate

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ChEBI Name isobutyl butyrate
Definition A butyrate ester resulting from the formal condensation of butanoic acid with isobutanol. It is used as a food flavour ingredient for apple, banana, peach and pinapple flavours in ice cream and confectionery.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C8H16O2
Net Charge 0
Average Mass 144.212
Monoisotopic Mass 144.115
InChI InChI=1S/C8H16O2/c1-4-5-8(9)10-6-7(2)3/h7H,4-6H2,1-3H3
Metabolite of Species Details
Gallus gallus (NCBI:txid9031) See: PubMed
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.
flavouring agent
A food additive that is used to added improve the taste or odour of a food.
Application(s): flavouring agent
A food additive that is used to added improve the taste or odour of a food.
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ChEBI Ontology
Outgoing isobutyl butyrate (CHEBI:87683) has functional parent isobutanol (CHEBI:46645)
isobutyl butyrate (CHEBI:87683) has role flavouring agent (CHEBI:35617)
isobutyl butyrate (CHEBI:87683) has role metabolite (CHEBI:25212)
isobutyl butyrate (CHEBI:87683) is a butyrate ester (CHEBI:50477)
2-methylpropyl butanoate
Synonyms Sources
2-methyl-1-propyl butyrate ChemIDplus
2-methylpropyl butanoate NIST Chemistry WebBook
2-methylpropyl butyrate NIST Chemistry WebBook
butanoic acid, 2-methylpropyl ester ChemIDplus
butanoic acid, isobutyl ester ChemIDplus
butanoic acid, methyl propyl ester NIST Chemistry WebBook
Butyric acid, isobutyl ester HMDB
isobutyl butanoate ChemIDplus
isobutyl butyrate ChemIDplus
isobutyl n-butyrate ChemIDplus
Manual Xref Database
HMDB0034161 HMDB
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Registry Numbers Types Sources
1747322 Reaxys Registry Number Reaxys
539-90-2 CAS Registry Number NIST Chemistry WebBook
539-90-2 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
23454028 PubMed citation Europe PMC
27439360 PubMed citation Europe PMC
Last Modified
31 July 2016