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

Name
Benzenepropanoic acid, 3-(2H-benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxy-, methyl ester
EINECS 400-820-2
CAS No. 84268-33-7
Article Data5
CAS DataBase
Density 1.21 g/cm³
Solubility 50μg/L at 20℃
Melting Point
Formula C₂₀H₂₃N₃O₃
Boiling Point 500.239 °C at 760 mmHg
Molecular Weight 353.421
Flash Point 256.335 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-[3'-tert-Butyl-2'-hydroxy-5'-(2-methoxycarbonylethyl)phenyl]benzotriazole;3-(2H-Benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxy-benzenepropanoic acid methyl ester;Tinuvin 1130;
PSA 77.24000
LogP 3.52920

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

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 Å²; (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.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)CCc1cc(c(O)c(c1)C(C)(C)C)n2nc3ccccc3n2
(2)Std. InChI: InChI=1S/C20H23N3O3/c1-20(2,3)14-11-13(9-10-18(24)26-4)12-17(19(14)25)23-21-15-7-5-6-8-16(15)22-23/h5-8,11-12,25H,9-10H2,1-4H3
(3)Std. InChIKey: UJRDRFZCRQNLJM-UHFFFAOYSA-N

Product Name

Benzenepropanoic acid, 3-(2H-benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxy-, methyl ester

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

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