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| IUPAC Name: | phenyl acetate |
| Description: | Phenyl acetate (CAS# 122-79-2) is a metabolite of Phenylbutyrate (PB), useful in the treatment of neuroblastoma and lung cancer. An odorant found in strawberries, passion fruit and black tea. |
| Molecular Weight: | 136.15 |
| Molecular Formula: | C8H8O2 |
| Canonical SMILES: | CC(=O)OC1=CC=CC=C1 |
| InChI: | InChI=1S/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3 |
| InChI Key: | IPBVNPXQWQGGJP-UHFFFAOYSA-N |
| Boiling Point: | 196-196 °C |
| Melting Point: | -30 °C |
| Flash Point: | 176 °F |
| Purity: | 98 % |
| Density: | 1.073 g/mL at 25 °C (lit.) |
| Solubility: | Practically insol in water; sol in glacial acetic acid; miscible with alcohol, Chloroform, Ether |
| Appearance: | A clear colorless liquid with a sweetish solvent odor. specific gravity 1.073. flash point 176°f. boiling point 383-384°f. difficult to ignite. used as a laboratory reagent and in the production of some organic chemicals. |
| MDL: | MFCD00008699 |
| LogP: | 1.61190 |
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