3,5-DI-TERT-BUTYLTOLUENE

The Benzene,1,3-bis(1,1-dimethylethyl)-5-methyl-, with the CAS registry number 15181-11-0, is also known as 3,5-Bis(tert-Butyl)toluene. It belongs to the product categories of Arenes; Building Blocks; Organic Building Blocks. Its EINECS number is 239-230-3. This chemical's molecular formula is C₁₅H₂₄ and molecular weight is 204.35. What's more, its systematic name is 1,3-di-tert-butyl-5-methylbenzene. It is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place. What's more, it should be protected from oxides.

Physical properties of Benzene,1,3-bis(1,1-dimethylethyl)-5-methyl- are: (1)ACD/LogP: 6.06; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.06; (4)ACD/LogD (pH 7.4): 6.06; (5)ACD/BCF (pH 5.5): 23540.09; (6)ACD/BCF (pH 7.4): 23540.09; (7)ACD/KOC (pH 5.5): 46873.36; (8)ACD/KOC (pH 7.4): 46873.36; (9)#Freely Rotating Bonds: 2 ; (10)Index of Refraction: 1.479; (11)Molar Refractivity: 67.85 cm³; (12)Molar Volume: 239 cm³; (13)Polarizability: 26.89×10^-24cm³; (14)Surface Tension: 26.2 dyne/cm; (15)Density: 0.854 g/cm³; (16)Flash Point: 91.1 °C; (17)Enthalpy of Vaporization: 46.15 kJ/mol; (18)Boiling Point: 244 °C at 760 mmHg; (19)Vapour Pressure: 0.0486 mmHg at 25°C.

Preparation of Benzene,1,3-bis(1,1-dimethylethyl)-5-methyl-: this chemical can be prepared by methylbenzene and 2-chloro-2-methyl-propane at the ambient temperature. This reaction will need reagent AlCl₃. The yield is about 50%.

Uses of Benzene,1,3-bis(1,1-dimethylethyl)-5-methyl-: it can be used to produce 3,5-di-tert-butyl-benzoic acid. It will need reagents KMnO₄, aqueous KOH, pyridine. The yield is about 57%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. You should not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). When using it, you must avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c(cc(cc1C(C)(C)C)C(C)(C)C)C
(2)InChI: InChI=1S/C15H24/c1-11-8-12(14(2,3)4)10-13(9-11)15(5,6)7/h8-10H,1-7H3
(3)InChIKey: WIXDSJRJFDWTNY-UHFFFAOYSA-N