TRIMETHYLOLPROPANE BENZOATE DIACRYLATE

The 2-Propenoic acid,1,1'-[2-[(benzoyloxy)methyl]-2-ethyl-1,3-propanediyl] ester with CAS registry number of 79720-88-0 is also known as Trimethylolpropane benzoate diacrylate. The systematic name is 2,2-Bis[(acryloyloxy)methyl]butyl benzoate. It belongs to product categories of Acrylic Monomers; C12 to C63Monomers; Carbonyl Compounds; Esters; Polyfunctional Acryli. In addition, the formula is C₁₉H₂₂O₆ and the molecular weight is 346.37. This chemical should be stored in sealed containers in cool, dry place.

Physical properties about 2-Propenoic acid,1,1'-[2-[(benzoyloxy)methyl]-2-ethyl-1,3-propanediyl] ester are: (1)ACD/LogP: 4.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5):  4.36; (4)ACD/LogD (pH 7.4): 4.36; (5)ACD/BCF (pH 5.5): 1222.32; (6)ACD/BCF (pH 7.4): 1222.32; (7)ACD/KOC (pH 5.5):  5641.65; (8)ACD/KOC (pH 7.4): 5641.65; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 78.9Ų; (13)Index of Refraction: 1.512; (14)Molar Refractivity: 91.95 cm³; (15)Molar Volume: 306 cm³; (16)Polarizability: 36.45×10^-24cm³; (17)Surface Tension: 40.5 dyne/cm; (18)Density: 1.131 g/cm³; (19)Flash Point: 202 °C; (20)Enthalpy of Vaporization: 72.54 kJ/mol; (21)Boiling Point: 464 °C at 760 mmHg; (22)Vapour Pressure:  8.64E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: O=C(OCC(CC)(COC(=O)\C=C)COC(=O)\C=C)c1ccccc1
2. InChI: InChI=1/C19H22O6/c1-4-16(20)23-12-19(6-3,13-24-17(21)5-2)14-25-18(22)15-10-8-7-9-11-15/h4-5,7-11H,1-2,6,12-14H2,3H3
3. InChIKey: FNYSXXARASJZSL-UHFFFAOYAB
4. Std. InChI: InChI=1S/C19H22O6/c1-4-16(20)23-12-19(6-3,13-24-17(21)5-2)14-25-18(22)15-10-8-7-9-11-15/h4-5,7-11H,1-2,6,12-14H2,3H3
5. Std. InChIKey: FNYSXXARASJZSL-UHFFFAOYSA-N