|
| | PHENYL ACETATE Basic information |
| | PHENYL ACETATE Chemical Properties |
| Melting point | 195-196℃ | | Boiling point | 196 °C(lit.) | | density | 1.073 g/mL at 25 °C(lit.) | | vapor density | 4.7 | | FEMA | 3958 | PHENYL ACETATE | | refractive index | n20/D 1.501(lit.) | | Fp | 170 °F | | storage temp. | Store below +30°C. | | solubility | 4g/l practically insoluble | | form | Liquid | | color | Clear colorless to slightly brown | | Odor | at 10.00 % in dipropylene glycol. phenolic medicinal animal resinous castoreum woody smoky burnt | | Odor Type | phenolic | | Water Solubility | Soluble in water (4 g/L at 20°C). | | Merck | 14,7267 | | JECFA Number | 734 | | BRN | 636458 | | Stability: | Stable. Incompatible with strong acids, strong bases, strong reducing agents, strong oxidizing agents. Combustible. | | LogP | 1.65 | | CAS DataBase Reference | 122-79-2(CAS DataBase Reference) | | EPA Substance Registry System | Acetic acid, phenyl ester (122-79-2) |
| Hazard Codes | Xn,Xi | | Risk Statements | 22 | | Safety Statements | 36 | | RIDADR | NA 1993 / PGIII | | WGK Germany | 2 | | RTECS | AJ2800000 | | Hazard Note | Irritant | | TSCA | Yes | | HS Code | 29153900 | | Hazardous Substances Data | 122-79-2(Hazardous Substances Data) | | Toxicity | LD50 orally in rats: 1.63 ml/kg, H. F. Smyth et al., Am. Ind. Hyg. Assoc. J. 30, 470 (1969) |
| | PHENYL ACETATE Usage And Synthesis |
| Chemical Properties | Phenylacetate, a product of phenylalanine metabolism. It is a small molecule normally present in the mammalian circulation
in low concentrations. Phenylacetate has an offensive odor. | | Chemical Properties | colourless liquid | | Uses | Phenyl Acetate 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. | | Uses | Phenyl acetate levels in urine are marker for the diagnosis of some forms of unipolar major depressive disorders. It undergoes Fries rearrangement to form a mixture of o- and p-hydroxyacetophenones which are useful intermediates in manufacture of pharmaceuticals. It 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. | | Definition | ChEBI: An acetate ester obtained by the formal condensation of phenol with acetic acid. | | Synthesis Reference(s) | Tetrahedron Letters, 29, p. 4567, 1988 DOI: 10.1016/S0040-4039(00)80548-1
Chemical and Pharmaceutical Bulletin, 30, p. 4242, 1982 DOI: 10.1248/cpb.30.4242
Synthetic Communications, 19, p. 1271, 1989 DOI: 10.1080/00397918908054534 | | General Description | 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. | | Air & Water Reactions | Slightly soluble in water. | | Reactivity Profile | An ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides. | | Health Hazard | Inhalation or contact with material may irritate or burn skin and eyes. Fire may produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution. | | Safety Profile | Moderately toxic by ingestion. Mildly toxic by skin contact. A skin irritant. Combustible when exposed to heat, flame oroxidizers. To fight fire, use alcohol foam. When heated to decomposition it emits acrid smoke and irritating fumes. | | Purification Methods | Phenyl acetate acid is freed from phenol and acetic acid by washing (either directly or as a solution in pentane) with aqueous 5% Na2CO3, then with saturated aqueous CaCl2, drying with CaSO4 or Na2SO4, and fractionally distilling under reduced pressure. [Beilstein 6 II 153, 6 III 595, 6 IV 611.] |
| | PHENYL ACETATE Preparation Products And Raw materials |
|
