METHYL PHENYL CARBONATE

The Carbonic acid, methylphenyl ester, with CAS registry number 13509-27-8, has the systematic name of methyl phenyl carbonate. Besides this, it is also called Phenylmethyl Carbonate. This chemical is a kind of colourless liquid. When use this chemical, do not breathe dust and avoid contact with skin and eyes.

Physical properties of Carbonic acid, methylphenyl ester: (1)ACD/LogP: 1.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.49; (4)ACD/LogD (pH 7.4): 1.49; (5)ACD/BCF (pH 5.5): 8.02; (6)ACD/BCF (pH 7.4): 8.02; (7)ACD/KOC (pH 5.5): 154.47; (8)ACD/KOC (pH 7.4): 154.47; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.501; (14)Molar Refractivity: 39.33 cm³; (15)Molar Volume: 133.4 cm³; (16)Polarizability: 15.59×10^-24cm³; (17)Surface Tension: 36.7 dyne/cm; (18)Density: 1.14 g/cm³; (19)Flash Point: 97.1 °C; (20)Enthalpy of Vaporization: 45.51 kJ/mol; (21)Boiling Point: 218.7 °C at 760 mmHg; (22)Vapour Pressure: 0.124 mmHg at 25°C.

Preparation: this chemical can be prepared by C₁₅H₁₄N₂O₄S. This reaction will need reagent 18-crown-6 and solvents dimethylformamide, diethyl ether. The reaction time is 4 hour(s). The yield is about 90%.

Uses of Carbonic acid, methylphenyl ester: it can be used to produce methoxybenzene. The reaction time is 2 hour(s) with reaction temperature of 130 ℃. The yield is about 95%.

When you are using this chemical, please be cautious about it as the following:
(1)SMILES: O=C(Oc1ccccc1)OC
(2)InChI: InChI=1/C8H8O3/c1-10-8(9)11-7-5-3-2-4-6-7/h2-6H,1H3
(3)InChIKey: XTBFPVLHGVYOQH-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C8H8O3/c1-10-8(9)11-7-5-3-2-4-6-7/h2-6H,1H3
(5)Std. InChIKey: XTBFPVLHGVYOQH-UHFFFAOYSA-N