Phenyl benzoate
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Phenyl benzoate
structure -
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CAS No:
93-99-2
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Formula:
C13H10O2
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Chemical Name:
Phenyl benzoate
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Synonyms:
Benzoic acid,phenyl ester;Phenol,benzoate;Phenyl benzoate;NSC 37086;Phenyl ester benzoic acid;Phenoxy phenyl ketone
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CAS No:
Description
white crystalline powder
Phenyl benzoate is a benzoate ester obtained by the formal condensation of phenol with benzoic acid.
Characteristics
26.30000
3.59
white crystalline powder
1.28 g/cm3
71 °C
314 °C
128.9±16.7 °C
1.585
Soluble in ethanol, ethyl ether and chloroform. Insoluble in water.
0.00 mmHg
LD50 orl-mus: 1225 mg/kg YKKZAJ 89,1179,69
Safety Information
NONH for all modes of transport
3
R22;R38
S22-S24/25
DH6299500
Xn:Harmful;
Stable. Incompatible with strong oxidizing agents, strong acids, strong bases.
P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P332+P313, P333+P313, P362, P363, P501
H302-H315
|Warning|H302 (92.59%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P332+P313, P333+P313, P362, P363, and P501|Aggregated GHS information provided by 135 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501
Computed Properties
Molecular Weight:198.22
XLogP3:3.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:198.068079557
Monoisotopic Mass:198.068079557
Topological Polar Surface Area:26.3
Heavy Atom Count:15
Complexity:201
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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