EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:141210 - neryl acetate
| Formula | C12H20O2 |
| Net Charge | 0 |
| Average Mass | 196.290 |
| Monoisotopic Mass | 196.14633 |
| SMILES | CC(=O)OC/C=C(/C)CCC=C(C)C |
| InChI | InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8- |
| InChIKey | HIGQPQRQIQDZMP-FLIBITNWSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Biological Roles: | volatile oil component Any plant metabolite that is found naturally as a component of a volatile oil. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| Application: | fragrance A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| neryl acetate (CHEBI:141210) has functional parent nerol (CHEBI:29452) |
| neryl acetate (CHEBI:141210) has role fragrance (CHEBI:48318) |
| neryl acetate (CHEBI:141210) has role plant metabolite (CHEBI:76924) |
| neryl acetate (CHEBI:141210) has role volatile oil component (CHEBI:27311) |
| neryl acetate (CHEBI:141210) is a acetate ester (CHEBI:47622) |
| neryl acetate (CHEBI:141210) is a monoterpenoid (CHEBI:25409) |
| neryl acetate (CHEBI:141210) is a olefinic compound (CHEBI:78840) |
| IUPAC Name |
|---|
| (2Z)-3,7-dimethylocta-2,6-dien-1-yl acetate |
| Synonyms | Source |
|---|---|
| cis-3,7-dimethyl-2,6-octadien-1-ol acetate | ChemIDplus |
| (2Z)-3,7-dimethyl-2,6-octadienyl acetate | NIST Chemistry WebBook |
| cis-geranyl acetate | NIST Chemistry WebBook |
| neryl ethanoate | ChemIDplus |
| neryl acetate | NIST Chemistry WebBook |
| Manual Xrefs | Databases |
|---|---|
| Neryl_acetate | Wikipedia |
| C00035138 | KNApSAcK |
| LMFA07010194 | LIPID MAPS |
| Citations |
|---|