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CHEBI:156236 - octyl benzoate
| Formula | C15H22O2 |
| Net Charge | 0 |
| Average Mass | 234.339 |
| Monoisotopic Mass | 234.16198 |
| SMILES | CCCCCCCCOC(=O)c1ccccc1 |
| InChI | InChI=1S/C15H22O2/c1-2-3-4-5-6-10-13-17-15(16)14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3 |
| InChIKey | VECVSKFWRQYTAL-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Melissa officinalis (ncbitaxon:39338) | - | DOI (10.2298/ABS1301065M) |
| Roles Classification |
|---|
| Biological Role: | 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) |
| octyl benzoate (CHEBI:156236) has functional parent benzoic acid (CHEBI:30746) |
| octyl benzoate (CHEBI:156236) has functional parent octan-1-ol (CHEBI:16188) |
| octyl benzoate (CHEBI:156236) has role fragrance (CHEBI:48318) |
| octyl benzoate (CHEBI:156236) has role plant metabolite (CHEBI:76924) |
| octyl benzoate (CHEBI:156236) is a benzoate ester (CHEBI:36054) |
| IUPAC Name |
|---|
| octyl benzoate |
| Synonyms | Source |
|---|---|
| n-octyl benzoate | ChemIDplus |
| benzoic acid, octyl ester | ChemIDplus |
| benzoic acid octyl ester | ChemIDplus |
| capryl benzoate | ChEBI |
| 1-octyl benzoate | ChEBI |
| UniProt Name | Source |
|---|---|
| octyl benzoate | UniProt |
| Citations |
|---|