1,2-DI(P-TOLYL)ETHANE

The Benzene,1,1'-(1,2-ethanediyl)bis[4-methyl-, with the CAS registry number 538-39-6, is also known as 4,4'-Dimethylbibenzyl and 1,2-Di-p-tolylethane. It belongs to the product categories of Aromatic Hydrocarbons (substituted) & Derivatives; Arenes; Building Blocks; Organic Building Blocks. This chemical's molecular formula is C₁₆H₁₈ and molecular weight is 210.3141. What's more, its IUPAC name is called 1-Methyl-4-[2-(4-methylphenyl)ethyl]benzene.

Physical properties about this chemical are: (1)ACD/LogP: 5.62; (2)#of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.62; (4)ACD/LogD (pH 7.4): 5.62; (5)ACD/BCF (pH 5.5): 10979.3; (6)ACD/BCF (pH 7.4): 10979.3; (7)ACD/KOC (pH 5.5): 27153.9; (8)ACD/KOC (pH 7.4): 27153.9; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.562; (14)Molar Refractivity: 69.93 cm³; (15)Molar Volume: 215.5 cm³; (16)Surface Tension: 36.9 dyne/cm; (17)Density: 0.975 g/cm³; (18)Flash Point: 136.8 °C; (19)Enthalpy of Vaporization: 51.67 kJ/mol; (20)Boiling Point: 298.3 °C at 760 mmHg; (21)Vapour Pressure: 0.00227 mmHg at 25 °C; (22)Melting Point: 80-83 °C.

Preparation of Benzene,1,1'-(1,2-ethanediyl)bis[4-methyl-: this chemical can be prepared by 1-Chloromethyl-4-methyl-benzene.

This reaction needs reagent Mg and solvent Tetrahydrofuran. The yield is 93%.

Uses of Benzene,1,1'-(1,2-ethanediyl)bis[4-methyl-: it is used to produce other chemicals. For example, it is used to produce 4-Methyl-benzaldehyde.

The reaction occurs with reagents O₂, 1,4-Dicyanonaphtalene and other condition of heating for 4 days. The yield is 58%.

When you are dealing with this chemical, you should be very careful. This chemical may cause damage to health. And it is harmful if swallowed. Therefore, you should wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1) SMILES: c1(ccc(cc1)C)CCc2ccc(cc2)C
(2) InChI: InChI=1/C16H18/c1-13-3-7-15(8-4-13)11-12-16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3
(3) InChIKey: XCCQFUHBIRHLQT-UHFFFAOYAL

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	725mg/kg (725mg/kg)		"Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 43, 1986.