PHENYL ACETATE

PHENYL ACETATE Basic information
Product Name:PHENYL ACETATE
Synonyms:PHENYL ACETATE;Fenylester kyseliny octove;fenylesterkyselinyoctove;Phenyl ester of acetic acid;FEMA 3958;Pcetic acid phenyl ester;Phenyl acetate,97%;ACETIC ACID PHENYL ESTER
CAS:122-79-2
MF:C8H8O2
MW:136.15
EINECS:204-575-0
Product Categories:Aromatics, Metabolites & Impurities, Pharmaceuticals, Intermediates & Fine Chemicals;Aromatics;Intermediates & Fine Chemicals;Metabolites & Impurities;Pharmaceuticals;Organics
Mol File:122-79-2.mol
PHENYL ACETATE Structure
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
Odorat 10.00 % in dipropylene glycol. phenolic medicinal animal resinous castoreum woody smoky burnt
Odor Typephenolic
Water Solubility Soluble in water (4 g/L at 20°C).
Merck 14,7267
JECFA Number734
BRN 636458
Stability:Stable. Incompatible with strong acids, strong bases, strong reducing agents, strong oxidizing agents. Combustible.
LogP1.65
CAS DataBase Reference122-79-2(CAS DataBase Reference)
EPA Substance Registry SystemAcetic acid, phenyl ester (122-79-2)
Safety Information
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 Data122-79-2(Hazardous Substances Data)
ToxicityLD50 orally in rats: 1.63 ml/kg, H. F. Smyth et al., Am. Ind. Hyg. Assoc. J. 30, 470 (1969)
MSDS Information
ProviderLanguage
ACROS English
SigmaAldrich English
ALFA English
PHENYL ACETATE Usage And Synthesis
Chemical PropertiesPhenylacetate, 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 Propertiescolourless liquid
UsesPhenyl 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.
UsesPhenyl 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.
DefinitionChEBI: 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 DescriptionA 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 ReactionsSlightly soluble in water.
Reactivity ProfileAn 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 HazardInhalation 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 ProfileModerately 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 MethodsPhenyl 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
Preparation Products4'-Hydroxyacetophenone-->4-Benzyloxy-3-nitroacetophenone-->1-(2-HYDROXYPHENYL)-3-PHENYL-1,3-PROPANEDIONE-->1,4-Diacetoxybenzene-->2,4,6-TRIBROMOPHENYL ACETATE
4-NITROPHENYL TRIFLUOROACETATE 4-CYANOPHENYL 4-N-BUTYLBENZOATE PHENYL 3-HYDROXY-2-NAPHTHOATE TERT-BUTYL-2-ISOCYANO-2-PHENYL-ACETATE Phenyl 2-chloroacetate Methyl chloro(phenyl)acetate PHENYL ETHYL PHENYL ACETATE PHENOL, 4-ALLYL-2-METHOXY:PHENYL ACETATE VINYL PHENYL ACETATE 4-CYANOPHENYL 4-HEPTYLBENZOATE ETHYL (2-METHOXY-5-[(METHYLAMINO)METHYL]PHENYL)ACETATE ETHYL 3-(TRIFLUOMETHYL)PHENYL ACETATE Ethyl hydroxy(phenyl)acetate 3-Hydroxyphenyl acetate NAPHTHOL AS ACETATE Estradiol benzoate 4-Acetoxyacetanilide (R)-4-(1-AMINOETHYL)PHENYL ACETATE

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