3-T-BUTYL-5-METHOXY-1,2-BENZENEDIOL

This chemical is called 1,2-Benzenediol,3-(1,1-dimethylethyl)-5-methoxy-, and its systematic name is 3-tert-Butyl-4,5-dihydroxyanisole. With the molecular formula of C₁₁H₁₆O₃, its molecular weight is 196.242. The CAS registry number of this chemical is 80284-15-7. It's metabolite of butylated hydroxyanisole. 

Other characteristics of the 1,2-Benzenediol,3-(1,1-dimethylethyl)-5-methoxy- can be summarised as followings: (1)ACD/LogP: 2.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.51; (4)ACD/LogD (pH 7.4): 2.51; (5)ACD/BCF (pH 5.5): 47.9; (6)ACD/BCF (pH 7.4): 47.57; (7)ACD/KOC (pH 5.5): 555.15; (8)ACD/KOC (pH 7.4): 551.22; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 27.69 Å²; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 55.08 cm³; (15)Molar Volume: 176.9 cm³; (16)Polarizability: 21.83×10^-24cm³; (17)Surface Tension: 38.9 dyne/cm; (18)Density: 1.108 g/cm³; (19)Flash Point: 151.9 °C; (20)Enthalpy of Vaporization: 59.25 kJ/mol; (21)Boiling Point: 327.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000105 mmHg at 25°C.

Uses of this chemical: The 1,2-Benzenediol,3-(1,1-dimethylethyl)-5-methoxy- could react with acetic acid anhydride to obtain the 2,3-Diacetoxy-5-methoxy-t-butylbenzol. This reaction needs the solvent of acetic acid. The yield is 62 %.  The other condition is heating.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:  
1.SMILES: Oc1c(cc(OC)cc1O)C(C)(C)C
2.InChI: InChI=1/C11H16O3/c1-11(2,3)8-5-7(14-4)6-9(12)10(8)13/h5-6,12-13H,1-4H3
3.InChIKey: CDUDTAOIPVCWDW-UHFFFAOYAB