4-TERT-BUTYLBENZYL ALCOHOL

This chemical is called 4-tert-Butylbenzyl alcohol, and it can also be named as p-tert-Butylbenzyl alcohol. With the molecular formula of C₁₁H₁₆O, its molecular weight is 164.24. The CAS registry number of this chemical is 877-65-6, and its product categories are Benzhydrols, Benzyl & Special Alcohols; Alcohols; C9 to C30; Oxygen Compounds.

Other characteristics of the 4-tert-Butylbenzyl alcohol can be summarised as followings: (1)ACD/LogP: 2.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.72; (4)ACD/LogD (pH 7.4): 2.72; (5)ACD/BCF (pH 5.5): 69.09; (6)ACD/BCF (pH 7.4): 69.09; (7)ACD/KOC (pH 5.5): 721.54; (8)ACD/KOC (pH 7.4): 721.54; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.513; (14)Molar Refractivity: 51.09 cm³; (15)Molar Volume: 169.9 cm³; (16)Polarizability: 20.25×10^-24cm³; (17)Surface Tension: 33.5 dyne/cm; (18)Density: 0.966 g/cm³; (19)Flash Point: 104.8 °C; (20)Enthalpy of Vaporization: 51.52 kJ/mol; (21)Boiling Point: 250.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0114 mmHg at 25°C.

Production method of this chemical: The 4-tert-Butylbenzyl alcohol could be obtained by the reactant of 4-tert-butyl-benzoic acid, the reagents of benzyltriethylammonium borohydride, chlorotrimethylsilane, and the solvent of CH₂Cl₂. The yield is 95 %. In addition, this reaction should be taken for 4 hours at the temperature of 25 °C.

Uses of this chemical: The 4-tert-butyl-benzaldehyde could be obtained by the reactant of 4-tert-Butylbenzyl alcohol, the reagent of I₂, and the solvent of diisopropyl ether. The yield is 77 %. This reaction should be taken for 48 hours at the temperature of 20 °C. The other condition is irradiation.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin, so avoid contacting with skin and eyes. Do not breathe vapour when you use it.

You can still convert the following datas into molecular structure: 
1.SMILES: OCc1ccc(cc1)C(C)(C)C
2.InChI: InChI=1/C11H16O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7,12H,8H2,1-3H3
3.InChIKey: FVEINXLJOJPHLH-UHFFFAOYAI