ethyl 2-methylbutyrate (CHEBI:88452)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	ethyl 2-methylbutyrate

ChEBI ID	CHEBI:88452

Definition	A fatty acid ethyl ester obtained by the formal condensation of 2-methylbutyric acid with ethanol. It is a constituent of the aroma of wines, strawberries, blueberries, and apples.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information	ChemicalBook:CB6704735, eMolecules:496633

Download	Molfile XML SDF

more structures >>

Formula

C7H14O2

Net Charge

Average Mass

130.187

Monoisotopic Mass

130.09938

InChI

InChI=1S/C7H14O2/c1-4-6(3)7(8)9-5-2/h6H,4-5H2,1-3H3

InChIKey

HCRBXQFHJMCTLF-UHFFFAOYSA-N

SMILES

CCOC(=O)C(C)CC

Metabolite of Species	Details
Artemisia annua (NCBI:txid35608)	Found in leaf (BTO:0000713). See: DOI
Homo sapiens (NCBI:txid9606)	Found in faeces (UBERON:0001988). See: PubMed

Roles Classification
Biological Role(s):	flavouring agent A food additive that is used to added improve the taste or odour of a food. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).

Application(s):	flavouring agent A food additive that is used to added improve the taste or odour of a food. fragrance A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.

ChEBI Ontology
Outgoing	ethyl 2-methylbutyrate (CHEBI:88452) has functional parent 2-methylbutyric acid (CHEBI:37070) ethyl 2-methylbutyrate (CHEBI:88452) has functional parent ethanol (CHEBI:16236) ethyl 2-methylbutyrate (CHEBI:88452) has role flavouring agent (CHEBI:35617) ethyl 2-methylbutyrate (CHEBI:88452) has role fragrance (CHEBI:48318) ethyl 2-methylbutyrate (CHEBI:88452) has role human metabolite (CHEBI:77746) ethyl 2-methylbutyrate (CHEBI:88452) has role plant metabolite (CHEBI:76924) ethyl 2-methylbutyrate (CHEBI:88452) is a fatty acid ethyl ester (CHEBI:78206) ethyl 2-methylbutyrate (CHEBI:88452) is a volatile organic compound (CHEBI:134179)

IUPAC Name

ethyl 2-methylbutanoate

Synonyms	Sources
2-methylbutanoic acid ethyl ester	HMDB
butanoic acid, 2-methyl-, ethyl ester	ChemIDplus
butyric acid, 2-methyl-, ethyl ester	ChemIDplus
ethyl 2-methylbutanoate	UniProt
ethyl α-methylbutyrate	ChemIDplus

Last Modified

10 September 2020