Benzoic acid,3,5-bis(1,1-dimethylethyl)-4-hydroxy-, hexadecyl ester (67845-93-6)

This chemical is called Hexadecyl 3,5-bis-tert-butyl-4-hydroxybenzoate, and it can also be named as 3,5-Di-tert-butyl-4-hydroxybenzoic acid hexadecyl ester. With the molecular formula of C₃₁H₅₄O₃, its molecular weight is 474.76. The CAS registry number of this chemical is 67845-93-6. In addition, this chemical is white crystalline powder.

Other characteristics of the Hexadecyl 3,5-bis-tert-butyl-4-hydroxybenzoate can be summarised as followings: (1)ACD/LogP: 13.21; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 13.21; (4)ACD/LogD (pH 7.4): 13.2; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 20; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.488; (14)Molar Refractivity: 146.17 cm³; (15)Molar Volume: 506.7 cm³; (16)Polarizability: 57.94×10^-24cm³; (17)Surface Tension: 33.5 dyne/cm; (18)Density: 0.936 g/cm³; (19)Flash Point: 191.3 °C; (20)Enthalpy of Vaporization: 84.71 kJ/mol; (21)Boiling Point: 539.2 °C at 760 mmHg; (22)Vapour Pressure: 3.07E-12 mmHg at 25°C.

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 you should wear suitable protective clothing when 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: O=C(OCCCCCCCCCCCCCCCC)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
2.InChI: InChI=1/C31H54O3/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-34-29(33)25-23-26(30(2,3)4)28(32)27(24-25)31(5,6)7/h23-24,32H,8-22H2,1-7H3
3.InChIKey: NZYMWGXNIUZYRC-UHFFFAOYAV