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137658-79-8

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Basic Information
CAS No.: 137658-79-8
Name: Phenol, 2-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl-5-3-(2-ethylhexyl)oxy-2-hydroxypropoxy-
Article Data: 2
Molecular Structure:
Molecular Structure of 137658-79-8 (Phenol, 2-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl-5-3-(2-ethylhexyl)oxy-2-hydroxypropoxy-)
Formula: C36H45N3O4
Molecular Weight: 583.771
Synonyms: 2-[2-Hydroxy-4-[3-(2-ethylhexyl-1-oxy)-2-hydroxypropyloxy]phenyl]-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazine;Tinuvin 405;
EINECS: 419-740-4
Density: 1.118 g/cm3
Boiling Point: 771.963 °C at 760 mmHg
Flash Point: 420.668 °C
Solubility: 100μg/L at 20℃
Risk Codes: 53
Safety: 61
PSA: 97.33000
LogP: 6.43740
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    Phenol,2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-[3-[(2-ethylhexyl)oxy]-2-hydroxypropoxy]-

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    UV-405

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    Melting point:75-77°C Transmittance(460nm)(0. 5% in toluene):96.0% Transmittance(500nm)(0.5% in toluene):98.0% Ash content:0.04%Appearance:Light yellow powder

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Specification

The UV-405 with the CAS number 137658-79-8 is also called Phenol,2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-[3-[(2-ethylhexyl)oxy]-2-hydroxypropoxy]-. The systematic name is 2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-{3-[(2-ethylhexyl)oxy]-2-hydroxypropoxy}phenol. Its molecular formula is C36H45N3O4. This chemical may cause long-term adverse effects in the aquatic environment. While using this chemical, you should avoid it release to the environment. Refer to special instructions / safety data sheets.

The properties of the UV-405 are: (1)ACD/LogP: 10.47; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 11; (4)ACD/LogD (pH 7.4): 10; (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): 2941535; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 97.59 Å2; (13)Index of Refraction: 1.571; (14)Molar Refractivity: 171.688 cm3; (15)Molar Volume: 522.18 cm3; (16)Polarizability: 68.063×10-24cm3; (17)Surface Tension: 46.156 dyne/cm; (18)Enthalpy of Vaporization: 117.887 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCC(CCCC)COCC(O)COc1cc(O)c(cc1)c2nc(nc(n2)c3ccc(C)cc3C)c4ccc(C)cc4C
(2)InChI: InChI=1/C36H45N3O4/c1-7-9-10-27(8-2)20-42-21-28(40)22-43-29-13-16-32(33(41)19-29)36-38-34(30-14-11-23(3)17-25(30)5)37-35(39-36)31-15-12-24(4)18-26(31)6/h11-19,27-28,40-41H,7-10,20-22H2,1-6H3
(3)InChIKey: WYLMGXULBMHUDT-UHFFFAOYAG