2,3,5,6-TETRAMETHYL PHENOL

The Phenol,2,3,5,6-tetramethyl-, with CAS registry number 527-35-5, has the systematic name of 2,3,5,6-tetramethylphenol. This chemical belongs to the following product category: Phenoles and thiophenoles. And the chemical formula of this chemical is C₁₀H₁₄O. What's more, its EINECS is 208-415-0.

Physical properties of Phenol,2,3,5,6-tetramethyl-: (1)ACD/LogP: 3.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.32; (4)ACD/LogD (pH 7.4): 3.32; (5)ACD/BCF (pH 5.5): 197.21; (6)ACD/BCF (pH 7.4): 197.14; (7)ACD/KOC (pH 5.5): 1528.66; (8)ACD/KOC (pH 7.4): 1528.16; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.532; (14)Molar Refractivity: 47.43 cm³; (15)Molar Volume: 152.9 cm³; (16)Polarizability: 18.8×10^-24cm³; (17)Surface Tension: 35.3 dyne/cm; (18)Density: 0.982 g/cm³; (19)Flash Point: 111.6 °C; (20)Enthalpy of Vaporization: 50.54 kJ/mol; (21)Boiling Point: 248.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0152 mmHg at 25°C.

Preparation: this chemical can be prepared by diiodomethane and 2,3,5-trimethyl-phenol. This reaction will need reagent diethylzinc and solvent toluene. The reaction time is 1.5 hour(s). The yield is about 80%.

Uses of Phenol,2,3,5,6-tetramethyl-: it can be used to produce 2,3,5,6-tetramethyl-[1,4]benzoquinone. This reaction will need reagents Na₂Cr₂O₇, aqueous H₂SO₄.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1c(c(cc(c1C)C)C)C
(2)InChI: InChI=1/C10H14O/c1-6-5-7(2)9(4)10(11)8(6)3/h5,11H,1-4H3
(3)InChIKey: KLAQSPUVCDBEGF-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C10H14O/c1-6-5-7(2)9(4)10(11)8(6)3/h5,11H,1-4H3
(5)Std. InChIKey: KLAQSPUVCDBEGF-UHFFFAOYSA-N