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Basic Information
CAS No.: 101-71-3
Name: Diphenan
Molecular Structure:
Molecular Structure of 101-71-3 (Diphenan)
Formula: C14H13 N O2
Molecular Weight: 227.263
Synonyms: Phenol,4-(phenylmethyl)-, carbamate (9CI); p-Cresol, a-phenyl-, carbamate (8CI); Butolan; Butolen; Carbamicacid, a-phenyl-p-tolyl ester;Carbaurine; Carphenol; Diphenan; Diphenan (pharmaceutical); Diphenane; NSC60023; Oxybulan; Oxylan; Palafuge; Parabencil; p-Benzylphenyl carbamate;p-Hydroxydiphenylmethane carbamic acid ester; a-Phenyl-p-cresol carbamate
Density: 1.173g/cm3
Melting Point: 147-150°
Boiling Point: 402.6°Cat760mmHg
Flash Point: 197.8°C
Safety: Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx.
PSA: 52.32000
LogP: 3.43520
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Chemistry

The Molecular Structure of 4-(Phenylmethyl)phenol carbamate (CAS NO.101-71-3):

Molecular Formula: C14H13NO2
Molecular Weight: 227.258520 g/mol
IUPAC: (4-benzylphenyl) carbamate 
Density: 1.173 g/cm3
Flash Point: 197.8 °C
Enthalpy of Vaporization: 65.37 kJ/mol 
Melting Point: 148.5°C
log P (octanol-water): 2.730
Atmospheric OH Rate Constant: 1.20E-11cm3/molecule-sec at 25°C 
Boiling Point: 402.6 °C at 760 mmHg
Vapour Pressure: 1.09E-06 mmHg at 25°C 
Polar Surface Area: 29.54Å2
Index of Refraction: 1.595
Molar Refractivity: 65.81 cm3
Molar Volume: 193.6 cm3
Surface Tension: 47.7 dyne/cm
ACD/LogP: 3.07
ACD/LogD (pH 5.5): 3.07
ACD/LogD (pH 7.4): 3.07
ACD/BCF (pH 5.5): 126.55
ACD/BCF (pH 7.4): 126.55
ACD/KOC (pH 5.5): 1112.75
ACD/KOC (pH 7.4): 1112.75 
InChI: InChI=1/C14H13NO2/c15-14(16)17-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,15,16)
Smiles: c1(Cc2ccccc2)ccc(OC(N)=O)cc1 
 4-(Phenylmethyl)phenol carbamate (CAS NO.101-71-3) is also called as Drug / Therapeutic Agent .

Toxicity Data With Reference

1.    

orl-mus LD50:2350 mg/kg

     ANTCAO    Antibiotics and Chemotherapy. 4 (1954),917.

Safety Profile

Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx.

Specification

 4-(Phenylmethyl)phenol carbamate (CAS NO.101-71-3) is also called as Diphenan [INN:DCF] ; 3-06-00-03360 (Beilstein Handbook Reference) ; BRN 3295222 ; Butolan ; Butolen ; Carbaurine ; Carphenol ; Difenano ; Difenano [INN-Spanish] ; Diphenan ; Diphenan (pharmaceutical) ; Diphenane ; Diphenane [INN-French] ; Diphenanum ; Diphenanum [INN-Latin] ; Oxybulan ; Oxylan ; Palafuge ; Parabencil ; Parabencilfenol ; Parabencilfenol [Spanish] ; UNII-U129BBY8DB ; p-Benzylphenyl carbamate ; p-Cresol, alpha-phenyl-, carbamate ; Phenol, 4-(phenylmethyl)-, carbamate ; alpha-Phenyl-p-cresol carbamate .