isobutyl butyrate (CHEBI:87683)

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ChEBI Name	isobutyl butyrate

ChEBI ID	CHEBI:87683

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.

Supplier Information

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Formula

C8H16O2

Net Charge

Average Mass

144.212

Monoisotopic Mass

144.11503

InChI

InChI=1S/C8H16O2/c1-4-5-8(9)10-6-7(2)3/h7H,4-6H2,1-3H3

InChIKey

RGFNRWTWDWVHDD-UHFFFAOYSA-N

SMILES

C(C(=O)OCC(C)C)CC

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.

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)

IUPAC Name

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

Last Modified

31 July 2016