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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 |
|---|
| Biological Roles: | 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. flavouring agent A food additive that is used to added improve the taste or odour of a food. |
| 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 |
|---|---|
| Bergamot mint oil | HMDB |
| Acetic acid linalool ester | HMDB |
| Bergamiol | HMDB |
| (±)-3,7-dimethylocta-1,6-dien-3-yl acetate | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| C09863 | KEGG COMPOUND |
| Linalyl_acetate | Wikipedia |
| HMDB0039522 | HMDB |
| Registry Numbers | Sources |
|---|---|
| Reaxys:1724497 | Reaxys |
| CAS:115-95-7 | KEGG COMPOUND |
| CAS:115-95-7 | ChemIDplus |
| Citations |
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