Methyl 3-[3-tert-butyl-5-(2H-benzotriazol-2-yl)-4-hydroxyphenyl]propionate

Details:

The Methyl 3-[3-tert-butyl-5-(2H-benzotriazol-2-yl)-4-hydroxyphenyl]propionate, with the CAS registry number 84268-33-7, is also known as 2-[3'-tert-Butyl-2'-hydroxy-5'-(2-methoxycarbonylethyl)phenyl]benzotriazole. Its EINECS number is 413-850-6. This chemical's molecular formula is C20H23N3O3 and molecular weight is 353.41. What's more, its systematic name is Methyl 3-[3-(2H-benzotriazol-2-yl)-4-hydroxy-5-(2-methyl-2-propanyl)phenyl]propanoate. Its classification codes are: (1)Skin / Eye Irritant; (2)TSCA Flag P [A commenced PMN (Premanufacture Notice)substance]. Physical properties of Methyl 3-[3-tert-butyl-5-(2H-benzotriazol-2-yl)-4-hydroxyphenyl]propionate are: (1)ACD/LogP: 5.818; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.82; (4)ACD/LogD (pH 7.4): 5.80; (5)ACD/BCF (pH 5.5): 15538.65; (6)ACD/BCF (pH 7.4): 15060.43; (7)ACD/KOC (pH 5.5): 34813.64; (8)ACD/KOC (pH 7.4): 33742.20; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 77.24 ?2; (13)Index of Refraction: 1.601; (14)Molar Refractivity: 100.022 cm3; (15)Molar Volume: 292.089 cm3; (16)Polarizability: 39.652×10-24cm3; (17)Surface Tension: 43.73 dyne/cm; (18)Density: 1.21 g/cm3; (19)Flash Point: 256.335 °C; (20)Enthalpy of Vaporization: 79.794 kJ/mol; (21)Boiling Point: 500.239 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.