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Phenol,2-(2H-benzotriazol-2-yl)-6-(1-methyl-1-phenylethyl)-4-(1,1,3,3-tetramethylbutyl)- (73936-91-1)

Identification
Name:Phenol,2-(2H-benzotriazol-2-yl)-6-(1-methyl-1-phenylethyl)-4-(1,1,3,3-tetramethylbutyl)-
Synonyms:2-(1-Methyl-1-phenylethyl)-4-(1,1,3,3-tetramethylbutyl)-6-(benzotriazol-2-yl)phenol;2-(2-Hydroxy-3-a-cumyl-5-tert-octylphenyl)-2H-benzotriazole;2-[2-Hydroxy-3-(a,a-dimethylbenzyl)-5-tert-octylphenyl]-2H-benzotriazole;2-[2'-Hydroxy-3'-(a,a-dimethylbenzyl)-5'-(1,1,3,3-tetramethylbutyl)phenyl]benzotriazole;2-[3-(a,a-Dimethylbenzyl)-2-hydroxy-5-(1,1,3,3-tetramethylbutyl)phenyl]-2H-benzotriazole;Chisorb 5228;Tinuvin 928;
CAS:73936-91-1
Molecular Formula: C29H35N3O
Molecular Weight: 441.6077
InChI: InChI=1/C29H35N3O/c1-27(2,3)19-28(4,5)21-17-22(29(6,7)20-13-9-8-10-14-20)26(33)25(18-21)32-30-23-15-11-12-16-24(23)31-32/h8-18,33H,19H2,1-7H3
Molecular Structure: (C29H35N3O) 2-(1-Methyl-1-phenylethyl)-4-(1,1,3,3-tetramethylbutyl)-6-(benzotriazol-2-yl)phenol;2-(2-Hydroxy-3-a...
Properties
Melting Point: 108-110ºC
Density:1.07
Appearance:Slightly yellow solid
Specification:

  The IUPAC name of UV absorber-928 is 2-(Benzotriazol-2-yl)-6-(2-phenylpropan-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol. With the CAS registry number 73936-91-1, it is also named as 2-(2H-Benzotriazol-2-yl)-6-(1-methyl-1-phenylethyl)-4-(1,1,3,3-tetramethylbutyl)phenol. Its classification code is TSCA Flag P. In addition, the product is slight yellow solid. Besides, its molecular formula is C29H35N3O and its molecular weight is 441.61. 

The other characteristics of UV absorber-928 can be summarized as: (1)XLogP3-AA: 9.2; (2)H-Bond Donor: 1; (3)H-Bond Acceptor: 3; (4)Rotatable Bond Count: 6; (5)Tautomer Count: 3; (6)Exact Mass: 441.278013; (7)MonoIsotopic Mass: 441.278013; (8)Topological Polar Surface Area: 50.9; (9)Heavy Atom Count: 33; (10)Complexity: 634; (11)Melting Point: 108-110 °C; (12)Density: 1.07 g/cm3.

People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: CC(C)(C)CC(C)(C)C1=CC(=C(C(=C1)N2N=C3C=CC=CC3=N2)O)C(C)(C)C4=CC=CC=C4
(2)InChI: InChI=1S/C29H35N3O/c1-27(2,3)19-28(4,5)21-17-22(29(6,7)20-13-9-8-10-14-20)26(33)25(18-21)32-30-23-15-11-12-16-24(23)31-32/h8-18,33H,19H2,1-7H3
(3)InChIKey: UZUNCLSDTUBVCN-UHFFFAOYSA-N

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