1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[[4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenyl]methyl]-

Base Information

• Chemical Name: 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[[4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenyl]methyl]-
• CAS No.: 40601-76-1
• Deprecated CAS: 1338721-68-8,1357193-26-0
• Molecular Formula: C42H57N3O6
• Molecular Weight: 699.931
• Hs Code.: 29336990
• European Community (EC) Number: 254-996-9
• UNII: 253H13NWCQ
• DSSTox Substance ID: DTXSID8028008
• Nikkaji Number: J38.951J
• Wikidata: Q27253902
• ChEMBL ID: CHEMBL3184256
• Mol file: 40601-76-1.mol

Synonyms:40601-76-1;Tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl) isocyanurate;Cyanox CY 1790;Antioxidant 1790;1,3,5-Tris(4-(tert-butyl)-3-hydroxy-2,6-dimethylbenzyl)-1,3,5-triazinane-2,4,6-trione;Irganox 3790;Lowinox 1790;Cyanox 1790;EINECS 254-996-9;Cynomix 1790;C42H57N3O6;DN 90;1,3,5-tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[[4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenyl]methyl]-;ADK-ARKLS DH 48;UNII-253H13NWCQ;253H13NWCQ;DTXSID8028008;1,3,5-Tri(4-tert-butyl-2,6-dimethyl-3-hydroxybenzyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione;1,3,5-tris[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methyl]-1,3,5-triazinane-2,4,6-trione;1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris((4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenyl)methyl)-;AO 1790;CY 1790;EC 254-996-9;1,3,5-Tris((4-tert-butyl-3-hydroxy-2,6-xylyl)methyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione;1,3,5-tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl)-1,3,5-triazine-2,4,6(1h,3h,5h)-trione;Irganox 1790;1,3,5-tris[[4-tert-butyl-3-hydroxy-2,6-xylyl]methyl]-1,3,5-triazine-2,4,6(1h,3h,5h)-trione;Appolo-1790;Cyanox 1970;SCHEMBL26717;1,3,5-Triazine-2,4,6(1H,3H,5H)-trione,1,3,5-tris[[4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenyl]methyl]-;BIDD:ER0469;DTXCID008008;CHEMBL3184256;Tox21_200797;MFCD01026105;5-Boc-octahydro-pyrrolo3,4-cpyridine;AKOS025310998;C42-H57-N3-O6;DS-3342;NCGC00248836-01;NCGC00258351-01;1,3,5-tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl)-1,3,5-triazine-2,4,6-(1h,3h,5h)-trione;CAS-40601-76-1;LS-179630;CS-0066489;FT-0698392;T2974;H12072;Q27253902;Tris(3-hydroxy-4-tert-butyl-2 6-dimethylbenzyl) isocyanurate;Tris(4-tert-butyl-2 6-dimethyl-3-hydroxybenzyl) isocyanurate;Tris(4-tert-butyl-3-hydroxy-2 6-dimethylbenzyl) isocyanurate;1,3,5-tris(2,6-dimethyl-4-tert-butyl-3-hydroxybenzyl) isocyanurate;135-Tris(26-dimethyl-3-hydroxy-4-tert-butylbenzyl) isocyanurate;135-Tris(26-dimethyl-4-tert-butyl-3-hydroxybenzyl) isocyanurate;Tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl) isocyanurate, 97%;1 3 5-Tris(2 6-dimethyl-3-hydroxy-4-tert-butylbenzyl) isocyanurate;1 3 5-Tris(2 6-dimethyl-4-tert-butyl-3-hydroxybenzyl) isocyanurate;1 3 5-Tris(4-tert-butyl-2 6-dimethyl-3-hydroxybenzyl) isocyanurate;1 3 5-Tris(4-tert-butyl-3-hydroxy-2 6-dimethylbenzyl) isocyanurate;1 3 5-Tris(4-tert-butyl-3-hydroxy-2 6-dimethylbenzyl)isocyanuric acid;1, 3,5-Tris (2,6-dimetil-3-hidroxi-4-terc-butilbencil) isocianurato;1,3,5-Tris (2,6-dimetil-4-terc-butil-3-hidroxibencil) isocianurato;1,3,5-TRIS(4-TERT-BUTYL-2,6-DIMETHYL-3-HYDROXYBENZYL) ISOCYANURATE;1,3,5-tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl)isocyanuric acid;Isocyanuric Acid Tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl) Ester;1,3,5-tris-(4-t-butyl-3-hydroxy-2,6-dimethylbenzyl)-s-triazine-2,4,6-(1h,3h,5h)-trione;135-Tri(4-tert-butyl-26-dimethyl-3-hydroxybenzyl)-135-triazine-246(1H3H5H)-trione;1 3 5-Tri(4-tert-butyl-2 6-dimethyl-3-hydroxybenzyl)-1 3 5-triazine-2 4 6(1H 3H 5H)-trione;1 3 5-Tris(4-tert-butyl-3-hydroxy-2 6-dimethylbenzyl)-1 3 5-triazine-2 4 6(1H 3H 5H)-trione;1 3 5-Tris(4-tert-butyl-3-hydroxy-2 6-dimethylbenzyl)-s-triazine-2 4 6-(1H 3H 5H)-trione;1 3 5-Tris(4-tert-butyl-3-hydroxy-2 6-dimethylphenylmethyl)-1 3 5-triazine-2 4 6-(1H 3H 5H)trione;1 3 5-Tris[(4-tert-butyl-3-hydroxy-2 6-xylyl)methyl]-1 3 5-triazine-2 4 6(1H 3H 5H)-trione;1,3,5-Tis(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl)-1,3,5-triazine-2,4,6-(1H, 3H, 5H)- trione;1,3,5-Tri (4-terc-butil-2,6-dimetil-3-hidroxibencil)-1,3,5-triazina-2, 4,6 (1H, 3H, 5H)-triona;1,3,5-triazina-2, 4,6 (1H, 3H, 5H)-triona, 1,3,5-tris-[[4-(1,1-dimetiletil)-3-hidroxi-2, 6-dimetilfenil] metil]-;1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[[4-(1,1-dimethylethyl) -3-hydroxy-2,6-dimethylphenyl]methyl]-;1,3,5-tris(4-t-butyl-3-hydroxy-2,6-dimethyl-benzyl)-1,3,5-triazine-2,4,6(1H,3H,5H)trione;1,3,5-tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl) 1,3,5-triazine-2,4,6-(1h,3h,5h)-trione;1,3,5-TRIS(4-TERT-BUTYL-3-HYDROXY-2,6-DIMETHYLBENZYL)-S-TRIAZINE-2,4,6-(1H,3H,5H)-TRIONE;1,3,5-TRIS(4-TERT-BUTYL-3-HYDROXY-2,6-DIMETHYLPHENYLMETHYL)-1,3,5-TRIAZINE-2,4,6-(1H,3H,5H)TRIONE;1,3,5-tris(4-tert.-butyl-3-hydroxy-2,6-dimethylbenzyl)-1,3,5-triazine-2,4,6-(1h,3h,5h)-trione

Chemical Property of 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[[4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenyl]methyl]-

Chemical Property:

• Vapor Pressure: 3.55E-26mmHg at 25°C
• Melting Point: 163-165 °C(lit.)
• Refractive Index: 1.592
• Boiling Point: 793.8 °C at 760 mmHg
• PKA: 11.36±0.28(Predicted)
• Flash Point: 433.9 °C
• PSA: 126.69000
• Density: 1.172 g/cm³
• LogP: 7.17630
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Acetonitrile (Slightly), DMSO (Slightly), Methanol (Slightly)
• Water Solubility.: 20μg/L at 20℃
• XLogP3: 10
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 699.42473655
• Heavy Atom Count: 51
• Complexity: 1090

Purity/Quality:

99% ^*data from raw suppliers

Tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl) isocyanurate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1CN2C(=O)N(C(=O)N(C2=O)CC3=C(C(=C(C=C3C)C(C)(C)C)O)C)CC4=C(C(=C(C=C4C)C(C)(C)C)O)C)C)O)C(C)(C)C
• Description: Antioxidant 1790, the appearance is white to off-white powder , Purity ≥95% . Antioxidant 1790 is a kind of hindered phenol primary antioxidant, It can be used in polypropylene, polyamide, ABS resin,polystyrene,elastic fiber, PE PP food package as USA FDA regulation .
• Uses: Tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl) Isocyanurate as an antioxidant and/or stabilizer in polystyrene and rubber-modified polystyrene intended for use in contact with food at room temperatur e or below. Tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl) Isocyanurate is also used as a stabilizer in polyethelene and poloypropylene. Tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl) Isocyanurate as an antioxidant and/or stabilizer in polystyrene and rubber-modified polystyrene intended for use in contact with food at room temperature or below. Tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl) Isocyanurate is also used as a stabilizer in polyethelene and poloypropylene.

Technology Process of 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[[4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenyl]methyl]-

There total 6 articles about 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[[4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenyl]methyl]- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.1%

2,6-di-methyl-4-tert-butyl-3-hydroxybenzyl chloride (23500-79-0) + sodium cyanurate (3047-33-4) → 1,3,5-tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl)isocyanurate (40601-76-1)

Guidance literature:

In N,N-dimethyl-formamide; at 120 ℃; for 14h; Inert atmosphere;

Reference yield: 95.3%

3-(bromomethyl)-6-tert-butyl-2,4-dimethylphenol (93982-04-8) + sodium cyanurate (3047-33-4) → 1,3,5-tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl)isocyanurate (40601-76-1)

Guidance literature:

3-(bromomethyl)-6-tert-butyl-2,4-dimethylphenol; With copper(l) iodide; potassium hexamethylsilazane; In acetonitrile; for 0.5h; Inert atmosphere;

sodium cyanurate; In acetonitrile; for 6h; Reagent/catalyst; Inert atmosphere; Reflux;

Reference yield: 92.07%

cyanuric acid (108-80-5,27026-93-3,27941-25-9) + 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)

Guidance literature:

With toluene-4-sulfonic acid; In n-heptane; at 120 ℃; for 9h; Solvent; Reagent/catalyst; Temperature; Green chemistry;

upstream raw materials:

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

sodium cyanurate

2,4-dimethyl-6-tert-butylphenol

cyanuric acid

Refernces

• 1、 -. "Preparation method of hindered phenol antioxidant". Paragraph 0022-0031. . Retrieved 2019/07/04.
• 2、 -. "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. . Retrieved 2018/06/19.