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CHEBI:6469 - linalyl acetate
| Formula | C12H20O2 |
| Net Charge | 0 |
| Average Mass | 196.290 |
| Monoisotopic Mass | 196.14633 |
| SMILES | C=C[C@@](C)(CCC=C(C)C)OC(C)=O |
| InChI | InChI=1S/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3/t12-/m0/s1 |
| InChIKey | UWKAYLJWKGQEPM-LBPRGKRZSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Chemical Role: | flavouring agent A food additive that is used to added improve the taste or odour of a food. |
| Biological Roles: | flavouring agent A food additive that is used to added improve the taste or odour of a food. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. food component A physiological role played by any substance that is distributed in foodstuffs. It includes materials derived from plants or animals, such as vitamins or minerals, as well as environmental contaminants. |
| Application: | flavouring agent A food additive that is used to added improve the taste or odour of a food. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| linalyl acetate (CHEBI:6469) has part (R)-linalyl acetate (CHEBI:78334) |
| linalyl acetate (CHEBI:6469) has part (S)-linalyl acetate (CHEBI:78335) |
| linalyl acetate (CHEBI:6469) has role antimicrobial agent (CHEBI:33281) |
| linalyl acetate (CHEBI:6469) has role flavouring agent (CHEBI:35617) |
| linalyl acetate (CHEBI:6469) has role food component (CHEBI:78295) |
| linalyl acetate (CHEBI:6469) is a racemate (CHEBI:60911) |
| IUPAC Name |
|---|
| rac-3,7-dimethylocta-1,6-dien-3-yl acetate |
| Synonyms | Source |
|---|---|
| (±)-3,7-dimethylocta-1,6-dien-3-yl acetate | ChEBI |
| Acetic acid linalool ester | HMDB |
| Bergamiol | HMDB |
| Bergamot mint oil | HMDB |
| Manual Xrefs | Databases |
|---|---|
| C09863 | KEGG COMPOUND |
| HMDB0039522 | HMDB |
| Linalyl_acetate | Wikipedia |
| Registry Numbers | Sources |
|---|---|
| Reaxys:1724497 | Reaxys |
| CAS:115-95-7 | ChemIDplus |
| CAS:115-95-7 | KEGG COMPOUND |
| Citations |
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