Reported in EPA TSCA Inventory.

The m-Phenylene dibenzoate, with the CAS registry number 94-01-9, is also known as 1,3-Phenylene dibenzoate. It belongs to the product category of Aromatic Esters. Its EINECS registry number is 202-294-8. This chemical's molecular formula is C₂₀H₁₄O₄ and molecular weight is 318.32. What's more, its IUPAC name is called (3-Benzoyloxyphenyl) benzoate. It should be stored in a sealed place.

Physical properties about m-Phenylene dibenzoate are: (1)ACD/LogP: 3.975; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.98; (4)ACD/LogD (pH 7.4): 3.98; (5)ACD/BCF (pH 5.5): 617.65; (6)ACD/BCF (pH 7.4): 617.65; (7)ACD/KOC (pH 5.5): 3461.11; (8)ACD/KOC (pH 7.4): 3461.11; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.616; (14)Molar Refractivity: 89.542 cm³; (15)Molar Volume: 256.268 cm³; (16)Polarizability: 35.497×10^-24cm³; (17)Surface Tension: 50.184 dyne/cm; (18)Density: 1.242 g/cm³; (19)Flash Point: 243.683 °C; (20)Enthalpy of Vaporization: 74.25 kJ/mol; (21)Boiling Point: 478.399 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

Preparation of m-Phenylene dibenzoate: this chemical can be prepared by benzoic acid anhydride with benzene-1,3-diol. This reaction needs reagent Sc(OTf)₃ and solvent acetonitrile at ambient temperature. The reaction time is 1 hour. The yield is 95 %.

Uses of m-Phenylene dibenzoate: (1) it is used as fine chemicals, pharmaceutical intermediates; (2) it is used to produce other chemicals. For example, it can produce 3-Benzoyloxy-phenol. The reaction occurs with reagent butan-1-amine and solvent benzene. The reaction time is 40 min. The yield is 68 %.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Oc2cccc(OC(=O)c1ccccc1)c2)c3ccccc3
(2) InChI: InChI=1S/C20H14O4/c21-19(15-8-3-1-4-9-15)23-17-12-7-13-18(14-17)24-20(22)16-10-5-2-6-11-16/h1-14H
(3) InChIKey: SUQGLJRNDJRARS-UHFFFAOYSA-N

The toxicity data is as follows: