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CHEBI:87683 - isobutyl butyrate
| Formula | C8H16O2 |
| Net Charge | 0 |
| Average Mass | 144.214 |
| Monoisotopic Mass | 144.11503 |
| SMILES | CCCC(=O)OCC(C)C |
| InChI | InChI=1S/C8H16O2/c1-4-5-8(9)10-6-7(2)3/h7H,4-6H2,1-3H3 |
| InChIKey | RGFNRWTWDWVHDD-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Gallus gallus (ncbitaxon:9031) | - | PubMed (27439360) |
| Roles Classification |
|---|
| Biological Roles: | flavouring agent A food additive that is used to added improve the taste or odour of a food. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| Application: | flavouring agent A food additive that is used to added improve the taste or odour of a food. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 | Source |
|---|---|
| 2-methylpropyl butanoate | NIST Chemistry WebBook |
| isobutyl butanoate | ChemIDplus |
| butanoic acid, methyl propyl ester | NIST Chemistry WebBook |
| Butyric acid, isobutyl ester | HMDB |
| butanoic acid, isobutyl ester | ChemIDplus |
| isobutyl butyrate | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| HMDB0034161 | HMDB |
| Citations |
|---|