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Phenyl benzoate

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Name Phenyl benzoate EINECS 202-293-2
CAS No. 93-99-2 Density
Solubility Melting Point 68-70 ºC
Formula C13H10 O2 Boiling Point 298-299 ºC
Molecular Weight 246.27 Flash Point
Transport Information Appearance white crystalline powder
Safety Risk Codes R22;R38
Molecular Structure Molecular Structure of 93-99-2 (Benzoic acid, phenylester) Hazard Symbols
Synonyms

Phenol,benzoate (7CI);NSC 37086;Phenyl benzoate;

 

Chemistry

Molecular Structure:

Molecular Formula: C13H10O2
Molecular Weight: 198.2173
IUPAC Name: Phenyl benzoate
Synonyms of Phenyl benzoate (CAS NO.93-99-2): Diphenylcarboxylate ; 4-09-00-00303 (Beilstein Handbook Reference) ; AI3-04731 ; BRN 1566346 ; EINECS 202-293-2 ; NSC 37086 ; Benzoic acid, phenyl ester ; Phenol, benzoate (7CI)
CAS NO: 93-99-2
Classification Code: Agricultural Chemical ; Nematocide
Density: 1.146 g/cm
Flash Point: 128.9 °C
Index of Refraction: 1.584
Melting Point: 68-70 °C(lit.) 
Boiling Point: 314 °C at 760 mmHg 
Appearance: white crystalline powder
Vapour Pressure: 0.000479 mmHg at 25°C
Enthalpy of Vaporization: 55.51 kJ/mol 
Stability: Stable. Incompatible with strong oxidizing agents, strong acids, strong bases

Uses

  Phenyl benzoate (CAS NO.93-99-2) is heated to 130 ℃ in the presence of aluminum chloride ,  after rearrangement, then generates 4 - hydroxy-benzophenone, used as intermediates in organic synthesis for the production of pharmaceutical and other products.

Production

Production methods:  Phenyl benzoate (CAS NO.93-99-2) is formed by the reaction of benzoyl chloride and phenol. The phenol dissolved in pyridine, the benzoyl chloride was added dropwise to control the temperature does not exceed 50 ℃, plus complete, at 120 ℃ response to 30min. After cooling, add water precipitation crystallization, filtration, washing drying derived benzoate. Yield of 93%. The acylation of phenol can also be sodium chloride solution and reaction at room temperature for 0.5h, followed by filtration, washed derived benzoate, ethanol can be used re-refined into a crystallization yield of 75-80%.

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1225mg/kg (1225mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 89, Pg. 1179, 1969.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Moderately toxic by ingestion. When heated it emits acrid smoke and irritating fumes.
Safety Information of Phenyl benzoate (CAS NO.93-99-2):
Hazard Codes: HarmfulXn
Risk Statements: 22-38
22: Harmful if swallowed
38: Irritating to the skin   
Safety Statements: 22-24/25
22: Do not breathe dust 
24/25: Avoid contact with skin and eyes 
WGK Germany: 3
RTECS: DH6299500

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