Dibenzyl terephthalate

The Dibenzyl terephthalate, with the CAS registry number of 19851-61-7, is also known as 1,4-Benzendicarboxylicacidbis(phenylmethyl)ester. It belongs to the product category of Aromatic Esters. Its EINECS registry number is 243-370-0. This chemical's molecular formula is C₂₂H₁₈O₄ and molecular weight is 346.38. What's more, both its systematic name and IUPAC name are the same which is called Dibenzyl benzene-1,4-dicarboxylate.

Physical properties about the Dibenzyl terephthalate are: (1)ACD/LogP: 6.02; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.02; (4)ACD/LogD (pH 7.4): 6.02; (5)ACD/BCF (pH 5.5): 22131.93; (6)ACD/BCF (pH 7.4): 22131.93; (7)ACD/KOC (pH 5.5): 44848.77; (8)ACD/KOC (pH 7.4): 44848.77; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 98.77 cm³; (15)Molar Volume: 286.6 cm³; (16)Surface Tension: 49.7 dyne/cm; (17)Density: 1.208 g/cm³; (18)Flash Point: 252.6 °C; (19)Enthalpy of Vaporization: 76.85 kJ/mol; (20)Boiling Point: 500 °C at 760 mmHg; (21)Vapour Pressure: 3.96E-10 mmHg at 25 °C.

Preparation: this chemical is prepared by reaction of Terephthaloyl dichloride with Phenylmethanol at ambient temperature. The reaction needs solvent Tetrahydrofuran pyridine. The yield is about 91 %.

Uses: it is used to produce other chemicals. For example, it is used to produce Terephthalic acid monobenzyl ester.
This reaction needs reagent KOH and solvent Phenylmethanol. Other condition of this reaction is reaction time of 1 hour at 60 °C. The yield is about 66 %.



When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. During using it, wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1) SMILES:O=C(OCc1ccccc1)c3ccc(C(=O)OCc2ccccc2)cc3
(2) InChI:InChI=1/C22H18O4/c23-21(25-15-17-7-3-1-4-8-17)19-11-13-20(14-12-19)22(24)26-16-18-9-5-2-6-10-18/h1-14H,15-16H2
(3) InChIKey:IWGFEQWCMAADJZ-UHFFFAOYAZ