O-TOLYL BENZOATE

The Benzoic acid,2-methylphenyl ester, also known as 2-Methylphenyl benzoate, is the organic compound with the formula C₁₄H₁₂O₂. Its EINECS registry number is 210-501-8. With the CAS registry number 617-02-7, its IUPAC name is (2-methylphenyl) benzoate. When you are using this chemical, please be cautious about it. You should avoid contact with skin and eyes. In addition, the substance should be sealed and stored in cool and dry place.

Physical properties of Benzoic acid,2-methylphenyl ester: (1)ACD/LogP: 4.05; (2)ACD/LogD (pH 5.5): 4.05; (3)ACD/LogD (pH 7.4): 4.05; (4)ACD/BCF (pH 5.5): 704.79; (5)ACD/BCF (pH 7.4): 704.79; (6)ACD/KOC (pH 5.5): 3804; (7)ACD/KOC (pH 7.4): 3804; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.577; (11)Molar Refractivity: 62.72 cm³; (12)Molar Volume: 189.1 cm³; (13)Surface Tension: 42.3 dyne/cm; (14)Density: 1.122 g/cm³; (15)Flash Point: 154.5 °C; (16)Enthalpy of Vaporization: 61.56 kJ/mol; (17)Boiling Point: 368.9 °C at 760 mmHg; (18)Vapour Pressure: 1.23E-05 mmHg at 25°C.

Preparation of Benzoic acid,2-methylphenyl ester: this chemical can be prepared by 2-methyl-phenol and benzoyl chloride. This reaction is a kind of Acylation. It will need reagent pyridine and solvent CH₂Cl₂. The reaction time is 22 hours with reaction temperature of 25 °C.

Uses of Benzoic acid,2-methylphenyl ester: it can be used to produce 4-hydroxy-3-methyl-benzophenone at temperature of 160 °C. This reaction is a kind of Rearrangement. It will need reagent AlCl₃ with reaction time of 2 hours.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1S/C14H12O2/c1-11-7-5-6-10-13(11)16-14(15)12-8-3-2-4-9-12/h2-10H,1H3
(2)InChIKey: YPMKPCAILYDVBN-UHFFFAOYSA-N
(3)Canonical SMILES : CC1=CC=CC=C1OC(=O)C2=CC=CC=C2