The 2-tert-Butyl-1,4-benzoquinone, with the CAS registry number 3602-55-9, is also known as tert-Butyl-1,4-benzoquinone. It belongs to the product categories of Benzoquinones; C10; Carbonyl Compounds; Ketones. Its EINECS number is 222-757-8. This chemical's molecular formula is C₁₀H₁₂O₂ and molecular weight is 164.20. What's more, its systematic name is 2-(2-Methyl-2-propanyl)-1,4-benzoquinone. Its classification code is Mutation data. It is stable at common pressure and temperature, and it should be sealed and stored in a ventilated and dry place. Moreover, it should be protected from light.

Physical properties of 2-tert-Butyl-1,4-benzoquinone are: (1)ACD/LogP: 2.084; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.08; (4)ACD/LogD (pH 7.4): 2.08; (5)ACD/BCF (pH 5.5): 22.58; (6)ACD/BCF (pH 7.4): 22.58; (7)ACD/KOC (pH 5.5): 324.00; (8)ACD/KOC (pH 7.4): 324.00; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 34.14 Å²; (13)Index of Refraction: 1.515; (14)Molar Refractivity: 45.33 cm³; (15)Molar Volume: 150.275 cm³; (16)Polarizability: 17.97×10^-24cm³; (17)Surface Tension: 40.48 dyne/cm; (18)Density: 1.093 g/cm³; (19)Flash Point: 82.638 °C; (20)Enthalpy of Vaporization: 46.437 kJ/mol; (21)Boiling Point: 227.8 °C at 760 mmHg ; (22)Vapour Pressure: 0.076 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-tert-butyl-benzene-1,4-diol. This reaction will need reagents aq. K₂Cr₂O₇, H₂SO₄ with the reaction time of 15 min. The yield is about 80%.

Uses of 2-tert-Butyl-1,4-benzoquinone: it can be used to produce 2-tert-butyl-6-p-tolylamino-[1,4]benzoquinone. This reaction will need solvent methanol with the reaction time of 30 min. The yield is about 42%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C/1/C=C\C(=O)\C=C\1C(C)(C)C
(2)Std. InChI: InChI=1S/C10H12O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6H,1-3H3
(3)Std. InChIKey: NCCTVAJNFXYWTM-UHFFFAOYSA-N