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CHEBI:77322 - methyl hexanoate
| Formula | C7H14O2 |
| Net Charge | 0 |
| Average Mass | 130.187 |
| Monoisotopic Mass | 130.09938 |
| SMILES | CCCCCC(=O)OC |
| InChI | InChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3 |
| InChIKey | NUKZAGXMHTUAFE-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Biological Roles: | 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. |
| Application: | flavouring agent A food additive that is used to added improve the taste or odour of a food. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| methyl hexanoate (CHEBI:77322) has role flavouring agent (CHEBI:35617) |
| methyl hexanoate (CHEBI:77322) has role plant metabolite (CHEBI:76924) |
| methyl hexanoate (CHEBI:77322) is a fatty acid methyl ester (CHEBI:4986) |
| methyl hexanoate (CHEBI:77322) is a hexanoate ester (CHEBI:87656) |
| Incoming Relation(s) |
| methyl 6-(pentacyclo[6.4.0.02,7.03,6.09,12]dodec-4-yl)hexanoate (CHEBI:132929) has functional parent methyl hexanoate (CHEBI:77322) |
| IUPAC Name |
|---|
| methyl hexanoate |
| Synonyms | Source |
|---|---|
| Caproic acid, methyl ester | NIST Chemistry WebBook |
| Hexanoic acid, methyl ester | ChemIDplus |
| Methyl caproate | ChemIDplus |
| Methyl capronate | NIST Chemistry WebBook |
| Methyl hexoate | ChemIDplus |
| Methyl hexylate | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| HMDB0035238 | HMDB |
| Citations |
|---|