| Identification | More | [Name]
PHENYL ACETATE | [CAS]
122-79-2 | [Synonyms]
ACETIC ACID PHENYL ESTER
FEMA 3958
Phenol acetate
PHENYL ACETATE
Fenylester kyseliny octove
fenylesterkyselinyoctove
Phenyl ester of acetic acid
(4-Acetoxy)polystyrene
ETHYL BIS ( 2, 4 DINITRO PHENYL
ESSIGSAEURE-PHENYLESTER
PHENYL ACETATE 99+%
BenzoateAcetate
Phenylacetate 99%
Essigsurephenylester
Pcetic acid phenyl ester | [EINECS(EC#)]
204-575-0 | [Molecular Formula]
C8H8O2 | [MDL Number]
MFCD00008699 | [Molecular Weight]
136.15 | [MOL File]
122-79-2.mol |
| Chemical Properties | Back Directory | [Appearance]
colourless liquid | [Melting point ]
195-196℃ | [Boiling point ]
196 °C(lit.)
| [density ]
1.073 g/mL at 25 °C(lit.)
| [vapor density ]
4.7 | [FEMA ]
3958 | [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 | [Stability:]
Stable. Incompatible with strong acids, strong bases, strong reducing agents, strong oxidizing agents. Combustible. | [Odor Type]
phenolic | [Water Solubility ]
Soluble in water (4 g/L at 20°C). | [JECFA Number]
734 | [Merck ]
14,7267 | [BRN ]
636458 | [Dielectric constant]
6.9（20℃） | [LogP]
1.65 | [CAS DataBase Reference]
122-79-2(CAS DataBase Reference) | [EPA Substance Registry System]
Acetic acid, phenyl ester (122-79-2) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R22:Harmful if swallowed. | [Safety Statements ]
S36:Wear suitable protective clothing . | [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) |
| Hazard Information | Back Directory | [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. | [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. | [Air & Water Reactions]
Slightly soluble in water. | [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. | [Chemical Properties]
colourless liquid | [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. | [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. | [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 | [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. | [Synthesis]
Phenyl acetate is synthesized by reacting phenol with acetic anhydride or acetyl chloride.
| [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.] | [Toxics Screening Level]
The ITSL for phenyl acetate has been changed from 0.04 μg/m3 to 0.1 μg/m3
based on an annual averaging time. |
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