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122-79-2
???:
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???(??):
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???:
PHENYL ACETATE
???(??):
Phenol acetate;2-phenylacetate;FEMA 3958;NSC 27795;PHENYL ACETATE;Acetoxybenzene;BenzoateAcetate;Phenylacetate 99%;Phenyl acetate,97%;Phenyl Acetate >
CBNumber:
CB0300805
???:
C8H8O2
??? ??:
136.15
MOL ??:
122-79-2.mol
MSDS ??:
SDS

?????????? ??

???
195-196℃
?? ?
196 °C(lit.)
??
1.073 g/mL at 25 °C(lit.)
?? ??
4.7
FEMA
3958 | PHENYL ACETATE
???
n20/D 1.501(lit.)
???
170 °F
?? ??
Store below +30°C.
???
4g/l ?? ???
??? ??
??
??
??? ??~?? ??
??
????? ??? ? 10.00%. ??? ?? ?? ??? Castoreum ?? ??? ??? ?
?? ??
???
???
?? ?????(20°C?? 4g/L).
Merck
14,7267
JECFA Number
734
BRN
636458
Henry's Law Constant
1.3×100 mol/(m3Pa) at 25℃, Brockbank (2013)
Dielectric constant
6.9(20℃)
???
????. ??, ???, ????, ????? ???? ????. ?? ??.
InChI
1S/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3
InChIKey
IPBVNPXQWQGGJP-UHFFFAOYSA-N
SMILES
CC(=O)Oc1ccccc1
LogP
1.65
CAS ??????
122-79-2(CAS DataBase Reference)
EPA
Acetic acid, phenyl ester (122-79-2)
??
  • ?? ? ?? ??
  • ?? ? ???? ?? (GHS)
??? ?? Xn,Xi
?? ???? ?? 22
????? 36
????(UN No.) NA 1993 / PGIII
WGK ?? 2
RTECS ?? AJ2800000
?? ?? ?? Irritant
TSCA TSCA listed
?? ?? CBL
HS ?? 29153900
???? ??? 10 - Combustible liquids
Hazard Classifications Acute Tox. 4 Oral
?? ?? ??? 122-79-2(Hazardous Substances Data)
?? LD50 orally in rats: 1.63 ml/kg, H. F. Smyth et al., Am. Ind. Hyg. Assoc. J. 30, 470 (1969)
????(GHS): Exclamation Mark (GHS07)
?? ?: Warning
??·?? ??:
?? ??·?? ?? ?? ?? ?? ?? ? ?? ?? P- ??
H227 ??? ?? ??? ?? ?? 4 ?? P210, P280, P370+P378, P403+P235,P501
H302 ??? ??? ?? ?? ?? - ?? ?? 4 ?? P264, P270, P301+P312, P330, P501
??????:
P210 ?·???·??·????? ????? - ?? ???.
P264 ?? ??? ?? ??? ????.
P264 ?? ??? ?? ??? ????.
P270 ? ??? ??? ??? ???, ???? ???? ???.
P280 ????/???/???/?????? ?????.
P370+P378 ?? ? ?? ?? ?? (Section 5. ??, ??? ????? ??? ???)?(?) ?????.
P403+P235 ??? ? ?? ?? ???? ???? ?????.
P501 ...? ??? / ??? ?? ???.
NFPA 704
2
1 0

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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.

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ChEBI: An acetate ester obtained by the formal condensation of phenol with acetic acid.

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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.

??? ?? ??

Slightly soluble in water.

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Phenyl acetate is 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.

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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.]

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