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40601-76-1

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  • High quality 1,3,5-Tris(4-Tert-Butyl-3-Hydroxy-2,6-Dimethylbenzyl)-1,3,5-Triazine-2,4,6-(1H,3H,5H)-Trione supplier in China

    Cas No: 40601-76-1

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40601-76-1 Usage

Description

Tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl) isocyanurate, also known as Antioxidant 1790, is a white to off-white powder with a purity of ≥95%. It is a hindered phenol primary antioxidant that is widely used in the plastics and polymer industry due to its effectiveness in preventing oxidative degradation.

Uses

Used in Plastics and Polymer Industry:
Tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl) isocyanurate is used as an antioxidant and/or stabilizer for various applications in the plastics and polymer industry. It is particularly effective in preventing oxidative degradation in materials such as polystyrene, rubber-modified polystyrene, polyethylene, and polypropylene.
Used in Food Packaging:
Tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl) isocyanurate is used as an antioxidant and/or stabilizer in polystyrene and rubber-modified polystyrene that come into contact with food at room temperature or below. It is also used as a stabilizer in polyethylene and polypropylene, which are commonly used in the production of food packaging materials.
Used in Nylon and Polyester Applications:
Tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl) isocyanurate is used as an antioxidant and stabilizer in the production of nylon and polyester materials, enhancing their resistance to oxidative degradation and improving their overall performance.
Used in ABS Resin and Polyolefin Pipe Applications:
Tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl) isocyanurate is also utilized as an antioxidant and stabilizer in the manufacturing of ABS resin and polyolefin pipes, ensuring the longevity and stability of these materials under various conditions.
Used in Agricultural Film and Household Appliances:
Tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl) isocyanurate is employed as an antioxidant and stabilizer in the production of agricultural films and household appliances, providing protection against oxidative degradation and enhancing their durability.
Used in Styrene Plastic and Elastomer Applications:
Tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl) isocyanurate is used as an antioxidant and stabilizer in the production of styrene plastics and elastomers, such as elastic fibers, ensuring their stability and resistance to oxidative degradation.

Flammability and Explosibility

Nonflammable

Safety

FDA approved for use in food contact applications in 178.2010, 177.1640.

Advantages

Low dosage and excellent performance: only with 0.02%~0.1% addition can effectively prevent goods from heat and oxidization degradation during the usage and high temperature processing;Great synergy with some secondary antioxidants such as phosphite ester and thiodipropionate type.Geat boiling water resistance ability;Good resistance to extraction of the detergent cleaning.

Check Digit Verification of cas no

The CAS Registry Mumber 40601-76-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 4,0,6,0 and 1 respectively; the second part has 2 digits, 7 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 40601-76:
(7*4)+(6*0)+(5*6)+(4*0)+(3*1)+(2*7)+(1*6)=81
81 % 10 = 1
So 40601-76-1 is a valid CAS Registry Number.
InChI:InChI=1/C42H57N3O6/c1-22-16-31(40(7,8)9)34(46)25(4)28(22)19-43-37(49)44(20-29-23(2)17-32(41(10,11)12)35(47)26(29)5)39(51)45(38(43)50)21-30-24(3)18-33(42(13,14)15)36(48)27(30)6/h16-18,46-48H,19-21H2,1-15H3

40601-76-1 Well-known Company Product Price

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  • Aldrich

  • (413224)  Tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl)isocyanurate  97%

  • 40601-76-1

  • 413224-25G

  • 537.03CNY

  • Detail

40601-76-1Synthetic route

2,6-di-methyl-4-tert-butyl-3-hydroxybenzyl chloride
23500-79-0

2,6-di-methyl-4-tert-butyl-3-hydroxybenzyl chloride

sodium cyanurate
3047-33-4

sodium cyanurate

1,3,5-tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl)isocyanurate
40601-76-1

1,3,5-tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl)isocyanurate

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 120℃; for 14h; Inert atmosphere;99.1%
With tributylphosphine In N,N-dimethyl-formamide at 140℃; for 14h; Reagent/catalyst; Temperature;76%
Stage #1: 2,6-di-methyl-4-tert-butyl-3-hydroxybenzyl chloride With copper(l) iodide; potassium hexamethylsilazane In acetonitrile for 0.5h; Inert atmosphere;
Stage #2: sodium cyanurate In acetonitrile for 12h; Inert atmosphere; Reflux;
64.6%
3-(bromomethyl)-6-tert-butyl-2,4-dimethylphenol
93982-04-8

3-(bromomethyl)-6-tert-butyl-2,4-dimethylphenol

sodium cyanurate
3047-33-4

sodium cyanurate

1,3,5-tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl)isocyanurate
40601-76-1

1,3,5-tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl)isocyanurate

Conditions
ConditionsYield
Stage #1: 3-(bromomethyl)-6-tert-butyl-2,4-dimethylphenol With copper(l) iodide; potassium hexamethylsilazane In acetonitrile for 0.5h; Inert atmosphere;
Stage #2: sodium cyanurate In acetonitrile for 6h; Reagent/catalyst; Inert atmosphere; Reflux;
95.3%
cyanuric acid
108-80-5

cyanuric acid

2,6-dimethyl-4-tert-butyl-3-hydroxybenzyl methyl ether

2,6-dimethyl-4-tert-butyl-3-hydroxybenzyl methyl ether

1,3,5-tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl)isocyanurate
40601-76-1

1,3,5-tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl)isocyanurate

Conditions
ConditionsYield
With toluene-4-sulfonic acid In n-heptane at 120℃; for 9h; Solvent; Reagent/catalyst; Temperature; Green chemistry;92.07%
cyanuric acid
108-80-5

cyanuric acid

2,6-di-methyl-4-tert-butyl-3-hydroxybenzyl chloride
23500-79-0

2,6-di-methyl-4-tert-butyl-3-hydroxybenzyl chloride

1,3,5-tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl)isocyanurate
40601-76-1

1,3,5-tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl)isocyanurate

Conditions
ConditionsYield
With triethylamine In N,N-dimethyl-formamide at 90 - 120℃; for 6.5h;85%
2,4-dimethyl-6-tert-butylphenol
1879-09-0

2,4-dimethyl-6-tert-butylphenol

1,3,5-tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl)isocyanurate
40601-76-1

1,3,5-tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl)isocyanurate

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: hydrogenchloride / water / 50 h / 38 °C
2: thionyl chloride; triethylamine / toluene / 0 °C
3: tributylphosphine / N,N-dimethyl-formamide / 14 h / 140 °C
View Scheme

40601-76-1Downstream Products

40601-76-1Relevant articles and documents

Synthetic method of antioxidant 1790

-

Paragraph 0032-0037; 0040-0045, (2021/04/17)

The invention relates to a preparation method of an antioxidant 1790 (1, 3, 5-tri (4-tertiary butyl- 3-hydroxy-2, 6-dimethyl benzyl) isocyanurate). According to the present invention, 6-tert-butyl- 3-bromomethyl-2, 4-dimethylphenol instead of 6-tert-butyl-3-chloromethyl-2, 4-dimethylphenol is used, and a specific base and a specific catalyst are used, such that the reaction temperature can be reduced, and the high-purity antioxidant 1790 can be obtained with mild reaction conditions and high yield.

1. 3, 5 - three (4 - tert-butyl - 3 - hydroxy - 2, 6 - dimethyl benzyl) - 1, 3, 5 - triazine - 2, 4, 6 (1 H, 3 H, 5 H) - three-ketone compound synthesis method

-

Paragraph 0031-0033, (2018/06/19)

The invention discloses a synthetic method of a 1,3,5-tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione compound, wherein the synthetic method comprises the steps of adding DMF, cyanuric acid and triethylamine into a reaction kettle, then heating up to 80-100 DEG C, next dropwise adding a mixed solution of 4-tert-butyl-2,6-dimethyl-3-hydroxy benzyl chloride and DMF, after reaction, filtering, evaporating to dryness, dissolving with methanol and precipitating, and thus obtaining the synthetic product. The synthetic method has the advantages of simple operation, short reaction time, few by-products, and high product yield.

1, 3, 5-tri (4-tert-butyl-3-hydroxy -2,6-dimethylbenzyl) isocyanurate-preparation method

-

Paragraph 0024; 0025; 0026, (2017/03/08)

The invention discloses a method for preparing 1,3,5-tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl) isocyanurate. The method includes the following steps: first, adding cyanuric acid trisodium salt and 4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl into a polar aprotic solvent, second, adding a phase transfer catalyst, third, heating the mixture to 100-120 DEG C and leaving the mixture to carry out thermal reaction for 8-20h under the protection of nitrogen, fourth, cooling the mixture to 50-60 DEG C and filtering out the salt, fifth, distilling off the solvent under a pressure of 0.005-0.015MPa, sixth, adding a non-polar solvent and water for solution and washing, seventh, distilling off residual water and a large part of solvent after settlement water diversion, eighth, adding methyl alcohol for dissolution, ninth, adding activated carbon for decoloration, tenth, cooling filtrate to achieve separation by crystallization after hot filtration, and eleventh, carrying out filtration to obtain the 1,3,5-tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl) isocyanurate. The method simplifies production operation processes and reduces cost for the treatment of three wastes greatly.

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