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Name |
1,2-Ethanediol, 1,1,2,2-tetrakis(4-methylphenyl)- |
EINECS | N/A |
CAS No. | 913-86-0 | Density | 1.139 g/cm3 |
PSA | 40.46000 | LogP | 6.09220 |
Solubility | N/A | Melting Point |
177 °C |
Formula | C30H30O2 | Boiling Point | 560 °C at 760 mmHg |
Molecular Weight | 422.567 | Flash Point | 239 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1,2-Ethanediol,1,1,2,2-tetra-p-tolyl- (8CI);1,2-Ethanediol, tetra-p-tolyl- (6CI,7CI);NSC25465;Tetra-p-tolyl-1,2-ethanediol; |
Article Data | 23 |
This chemical is called 1,2-Ethanediol, 1,1,2,2-tetrakis(4-methylphenyl)-, and its systematic name is 1,1,2,2-tetrakis(4-methylphenyl)ethane-1,2-diol. With the molecular formula of C30H30O2, its molecular weight is 422.56. The CAS registry number of this chemical is 913-86-0.
Other characteristics of the 1,2-Ethanediol, 1,1,2,2-tetrakis(4-methylphenyl)- can be summarised as followings: (1)ACD/LogP: 7.72; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.72; (4)ACD/LogD (pH 7.4): 7.72; (5)ACD/BCF (pH 5.5): 433195.03; (6)ACD/BCF (pH 7.4): 433194.56; (7)ACD/KOC (pH 5.5): 376972.94; (8)ACD/KOC (pH 7.4): 376972.5; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.621; (14)Molar Refractivity: 130.59 cm3; (15)Molar Volume: 370.9 cm3; (16)Polarizability: 51.77×10-24cm3; (17)Surface Tension: 47.1 dyne/cm; (18)Density: 1.139 g/cm3; (19)Flash Point: 239 °C; (20)Enthalpy of Vaporization: 88.65 kJ/mol; (21)Boiling Point: 560 °C at 760 mmHg; (22)Vapour Pressure: 2.23E-13 mmHg at 25°C.
Production method of this chemical: The 1,2-Ethanediol, 1,1,2,2-tetrakis(4-methylphenyl)- could be obtained by the reactant of 4,4'-dimethyl-benzophenone. This reaction needs the reagent of Zn/ZnCl2.
Uses of this chemical: The tetra-p-tolyl-ethanone could be obtained by the reactant of 1,2-Ethanediol, 1,1,2,2-tetrakis(4-methylphenyl)-. This reaction needs the reagent of chlorosulfonyl isocyanate, and the solvent of CH2Cl2. The yield is 99 %.
You can still convert the following datas into molecular structure:
1.SMILES: OC(c1ccc(cc1)C)(c2ccc(cc2)C)C(O)(c3ccc(cc3)C)c4ccc(cc4)C
2.InChI: InChI=1/C30H30O2/c1-21-5-13-25(14-6-21)29(31,26-15-7-22(2)8-16-26)30(32,27-17-9-23(3)10-18-27)28-19-11-24(4)12-20-28/h5-20,31-32H,1-4H3
3.InChIKey: UWVQXJFNNKWNLZ-UHFFFAOYAG