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Cas Database

Name	2-(2H-Benzotriazol-2-yl)-6-dodecyl-4-methylphenol	EINECS	401-680-5
CAS No.	23328-53-2	Density	1.07 g/cm³
PSA	50.94000	LogP	6.89790
Solubility	N/A	Melting Point	N/A
Formula	C₂₅H₃₅N₃O	Boiling Point	545.1 °C at 760 mmHg
Molecular Weight	393.572	Flash Point	283.4 °C
Transport Information	N/A	Appearance	clear viscous yellow liquid
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	p-Cresol,2-(2H-benzotriazol-2-yl)-6-dodecyl- (8CI);(2-Hydroxy-3-dodecyl-5-methylphenyl)benzotriazole;2-(2-Hydroxy-3-dodecyl-5-methylphenyl)-2H-benzotriazole;2-(2-Hydroxy-3-dodecyl-5-methylphenyl)benzotriazole;2-(2H-Benzotriazol-2-yl)-6-dodecyl-4-methylphenol;2-(3-Dodecyl-2-hydroxy-5-methylphenyl)benzotriazole;2-(3'-Dodecyl-2'-hydroxy-5'-methylphenyl)benzotriazole;2-(3'-Dodecyl-5'-methyl-2'-hydroxyphenyl)benzotriazole;2-(Benzotriazol-2-yl)-6-dodecyl-4-methylphenol;Tinogard TL;Tinuvin 171;Tinuvin 571;UV 571;	Article Data	2

2-(2H-Benzotriazol-2-yl)-6-dodecyl-4-methylphenol Specification

The Phenol,2-(2H-benzotriazol-2-yl)-6-dodecyl-4-methyl- is an organic compound with the formula C₂₅H₃₅N₃O. The IUPAC name of this chemical is 2-(benzotriazol-2-yl)-6-dodecyl-4-methylphenol. With the CAS registry number 23328-53-2, it is also named as 2-(2H-Benzotriazol-2-yl)-6-dodecyl-4-methylphenol.

Physical properties about Phenol,2-(2H-benzotriazol-2-yl)-6-dodecyl-4-methyl- are: (1)ACD/LogP: 10.61; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 10.6; (4)ACD/LogD (pH 7.4): 10.53; (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: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 39.94 Å²; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 120.66 cm³; (15)Molar Volume: 365 cm³; (16)Polarizability: 47.83×10^-24cm³; (17)Surface Tension: 40.2 dyne/cm; (18)Density: 1.07 g/cm³; (19)Flash Point: 283.4 °C; (20)Enthalpy of Vaporization: 85.47 kJ/mol; (21)Boiling Point: 545.1 °C at 760 mmHg; (22)Vapour Pressure: 1.71E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1c3ccccc3nn1c2cc(cc(c2O)CCCCCCCCCCCC)C
(2)InChI: InChI=1/C25H35N3O/c1-3-4-5-6-7-8-9-10-11-12-15-21-18-20(2)19-24(25(21)29)28-26-22-16-13-14-17-23(22)27-28/h13-14,16-19,29H,3-12,15H2,1-2H3
(3)InChIKey: VQMHSKWEJGIXGA-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C25H35N3O/c1-3-4-5-6-7-8-9-10-11-12-15-21-18-20(2)19-24(25(21)29)28-26-22-16-13-14-17-23(22)27-28/h13-14,16-19,29H,3-12,15H2,1-2H3
(5)Std. InChIKey: VQMHSKWEJGIXGA-UHFFFAOYSA-N

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