2,2',6,6'-Tetramethyl-4,4'-biphenol

The CAS register number of 2,2',6,6'-Tetramethyl-4,4'-biphenol is 2417-04-1. It also can be called as [1,1'-Biphenyl]-4,4'-diol,3,3',5,5'-tetramethyl- and the IUPAC name about this chemical is 4-(4-hydroxy-3,5-dimethylphenyl)-2,6-dimethylphenol. The molecular formula about this chemical is C₁₆H₁₈O₂ and the molecular weight is 242.31. Classification code about this chemical are TSCA Flag E [Subject to the Section 5(e) Consent Order of TSCA], TSCA Flag P [A commenced PMN (Premanufacture Notice) substance] and TSCA Flag S [Substance is identified in a proposed or final SNUR (Significant New Use Rule) under TSCA].

Physical properties about 2,2',6,6'-Tetramethyl-4,4'-biphenol are: (1)ACD/LogP: 4.27; (2)ACD/LogD (pH 5.5): 4.26; (3)ACD/LogD (pH 7.4): 4.26; (4)ACD/BCF (pH 5.5): 1025.9; (5)ACD/BCF (pH 7.4): 1024.37; (6)ACD/KOC (pH 5.5): 4976.76; (7)ACD/KOC (pH 7.4): 4969.35; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 18.46Ų; (12)Index of Refraction: 1.597; (13)Molar Refractivity: 73.9 cm³; (14)Molar Volume: 216.6 cm³; (15)Polarizability: 29.29x10^-24cm³; (16)Surface Tension: 45 dyne/cm; (17)Enthalpy of Vaporization: 62.33 kJ/mol; (18)Boiling Point: 354.6 °C at 760 mmHg; (19)Vapour Pressure: 1.62E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by 2,6-dimethyl-phenol. This reaction will need reagent CuCl(OH)*TMEDA and solvent CH₂Cl₂. The reaction time is 5 hour(s) with reaction temperature of 20 ℃. The yield is about 93%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. This chemical also has limited evidence of a carcinogenic effect. If you want to use this chemical, please do not breathe dust. When you are using it, wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc2c(cc(c1cc(c(O)c(c1)C)C)cc2C)C
(2)InChI: InChI=1/C16H18O2/c1-9-5-13(6-10(2)15(9)17)14-7-11(3)16(18)12(4)8-14/h5-8,17-18H,1-4H3
(3)InChIKey: YGYPMFPGZQPETF-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C16H18O2/c1-9-5-13(6-10(2)15(9)17)14-7-11(3)16(18)12(4)8-14/h5-8,17-18H,1-4H3
(5)Std. InChIKey: YGYPMFPGZQPETF-UHFFFAOYSA-N