TERT-BUTYL CUMYL PEROXIDE

The Peroxide, 1, 1-dimethylethyl 1-methyl-1-phenylethyl, with the CAS registry number of 3457-61-2, is also known as [1-(tert-Butylperoxy)-1-methylethyl]benzene and 1, 1-Dimethylethyl 1-methyl-1-phenylethyl peroxide. Its EINECS registry number is 222-389-8. This chemical's molecular formula is C₁₃H₂₀O₂ and molecular weight is 208.3. What's more, its IUPAC name is 2-tert-Butylperoxypropan-2-ylbenzene. In addition, it must be stored in airtight containers and placed in a dry, cool place at room temperature. Meanwhile, it should avoid contact with ignition source, flammable materials, reductant. Besides, it is good oxidizing agent.

Physical properties about Peroxide, 1, 1-dimethylethyl 1-methyl-1-phenylethyl are: (1)ACD/LogP: 4.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.44; (4)ACD/LogD (pH 7.4): 4.44; (5)ACD/BCF (pH 5.5): 1391.4; (6)ACD/BCF (pH 7.4): 1391.4; (7)ACD/KOC (pH 5.5): 6189.87; (8)ACD/KOC (pH 7.4): 6189.87; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.479; (14)Molar Refractivity: 61.99 cm³; (15)Molar Volume: 218.4 cm³; (16)Polarizability: 24.57×10^-24 cm³; (17)Surface Tension: 29.5 dyne/cm; (18)Density: 0.953 g/cm³; (19)Flash Point: 73.2 °C; (20)Enthalpy of Vaporization: 46.69 kJ/mol; (21)Boiling Point: 249.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0364 mmHg at 25 °C; (23)Melting Point: 5-8 °C.

Preparation: this chemical is prepared by reaction of tert-Butyl hydroperoxide with Isopropylbenzene. This reaction needs reagents HOAc and Fe(NO₃)₃•9H₂O. Meanwhile, it needs solvent Pyridine. The reaction time is 18 hours with reaction temperature of 60 °C. The yield is about 80 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to skin. During using it, wear suitable protective clothing, gloves and eye/face protection. In addition, this chemical is toxic to aquatic organisms, and it may cause long-term adverse effects in the aquatic environment. Besides, this chemical may cause fire. Hence, keep container tightly closed in a cool place.

You can still convert the following datas into molecular structure:
(1) SMILES: O(OC(c1ccccc1)(C)C)C(C)(C)C
(2) InChI: InChI=1/C13H20O2/c1-12(2,3)14-15-13(4,5)11-9-7-6-8-10-11/h6-10H,1-5H3
(3) InChIKey: BIISIZOQPWZPPS-UHFFFAOYAT