4,4'-Bis(2,3-epoxypropoxy)-3,3',5,5'-tetramethylbiphenyl

The systematic name of 4,4'-Bis(2,3-epoxypropoxy)-3,3',5,5'-tetramethylbiphenyl is 2,2'-[(3,3',5,5'-tetramethylbiphenyl-4,4'-diyl)bis(oxymethanediyl)]dioxirane. With the CAS registry number 85954-11-6, it is also named as Tetramethylbiphenyl diglycidyl ether. The product's EINECS is 413-900-7 and the other registry numbers are 1195705-66-8, 139451-01-7 and 258532-25-1. In addition, its molecular formula is C₂₂H₂₆O₄ and molecular weight is 354.44.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 4.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 2062; (6)ACD/BCF (pH 7.4): 2062; (7)ACD/KOC (pH 5.5): 8202; (8)ACD/KOC (pH 7.4): 8202; (9)H bond acceptors: 4; (10)H bond donors: 0; (11)Freely Rotating Bonds: 7; (12)Polar Surface Area: 43.52 Å²; (13)Index of Refraction: 1.57; (14)Molar Refractivity: 101.183 cm³; (15)Molar Volume: 308.435 cm³; (16)Polarizability: 40.112×10^-24cm³; (17)Surface Tension: 44.975 dyne/cm; (18)Density: 1.149 g/cm³; (19)Flash Point: 131.775 °C; (20)Melting point: 105 °C; (21)Enthalpy of Vaporization: 70.854 kJ/mol; (22)Boiling Point: 473.525 °C at 760 mmHg; (23)Vapour Pressure: 0 mmHg at 25 °C.

When you are using 4,4'-Bis(2,3-epoxypropoxy)-3,3',5,5'-tetramethylbiphenyl, please be cautious about it as the following: this chemical is possible risk of irreversible effects. When you use it, please do not breathe dust and wear suitable protective clothing and gloves.

People can use the following data to convert to the molecule structure.
SMILES:O(c3c(cc(c2cc(c(OCC1OC1)c(c2)C)C)cc3C)C)CC4OC4
InChI:InChI=1/C22H26O4/c1-13-5-17(6-14(2)21(13)25-11-19-9-23-19)18-7-15(3)22(16(4)8-18)26-12-20-10-24-20/h5-8,19-20H,9-12H2,1-4H3
InChIKey:HRSLYNJTMYIRHM-UHFFFAOYAX
Std. InChI:InChI=1S/C22H26O4/c1-13-5-17(6-14(2)21(13)25-11-19-9-23-19)18-7-15(3)22(16(4)8-18)26-12-20-10-24-20/h5-8,19-20H,9-12H2,1-4H3
Std. InChIKey:HRSLYNJTMYIRHM-UHFFFAOYSA-N