Showing Metabocard for benzyl acetate (BASm0002424)
| Common Name | Benzyl acetate |
|---|---|
| Description | Benzyl acetate, also known as benzyl ethanoate or fema 2135, belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group. Benzyl acetate is a sweet, apple, and apricot tasting compound. Benzyl acetate is found, on average, in the highest concentration within sweet basils. Benzyl acetate has also been detected, but not quantified, in several different foods, such as figs, fruits, pomes, tea, and alcoholic beverages. On high concnetrations benzyl acetate is a potentially toxic compound. If the compound has entered the eyes, they should be washed with large quantities of isotonic saline or water. |
| Structure | |
| Molecular Formula | C9H10O2 |
| Average Mass | 150.17450 |
| Monoisotopic Mass | 150.06808 |
| IUPAC Name | benzyl acetate |
| Traditional Name | Benzyl acetate |
| CAS Registry Number | 0140-11-4 |
| SMILES | CC(=O)OCc1ccccc1 |
| InChI Identifier | InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3 |
| InChI Key | QUKGYYKBILRGFE-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:52051 |
| HMDB ID | HMDB0031310 |
| State | Liquid |
| Water Solubility | 5.20e-01 g/l |
| logP | 2.07 |
| logS | -2.46 |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | -7.01 |
| Hydrogen Acceptor Count | 1 |
| Hydrogen Donor Count | 0 |
| Polar Surface Area | 26.3 Ų |
| Rotatable Bond Count | 3 |
| Physiological Charge | 0 |
| Formal Charge | 0 |
| Refractivity | 42.03 m³·mol⁻¹ |
| Polarizability | 16.03 |