1,3,5-Tris(3,5-di-tert-butyl-4-hydroxybenzyl)-1,3,5-triazinane-2,4,6-trione

Base Information

• Chemical Name: 1,3,5-Tris(3,5-di-tert-butyl-4-hydroxybenzyl)-1,3,5-triazinane-2,4,6-trione
• CAS No.: 27676-62-6
• Deprecated CAS: 113570-76-6,132420-39-4,72750-69-7,260432-89-1,260432-89-1,72750-69-7
• Molecular Formula: C48H69N3O6
• Molecular Weight: 784.092
• Hs Code.: 2933690000
• European Community (EC) Number: 248-597-9
• UNII: 680V3MP8YT
• DSSTox Substance ID: DTXSID0027935
• Nikkaji Number: J52.299F
• Wikidata: Q27264187
• Mol file: 27676-62-6.mol

Synonyms:Irganox 3114

Chemical Property of 1,3,5-Tris(3,5-di-tert-butyl-4-hydroxybenzyl)-1,3,5-triazinane-2,4,6-trione

Chemical Property:

• Vapor Pressure: 8.89E-24mmHg at 25°C
• Melting Point: 218-220 °C(lit.)
• Refractive Index: 1.566
• Boiling Point: 757.9 °C at 760 mmHg
• PKA: 11.45±0.40(Predicted)
• Flash Point: 412.2 °C
• PSA: 126.69000
• Density: 1.12 g/cm³
• LogP: 9.21840
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly, Heated), Methanol (Slightly, Hea
• Water Solubility.: 40μg/L at 20℃
• XLogP3: 12.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 12
• Exact Mass: 783.51863693
• Heavy Atom Count: 57
• Complexity: 1170

Purity/Quality:

98% ^*data from raw suppliers

Tris(3,5-di-tert-butyl-4-hydroxybenzyl)Isocyanurate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN2C(=O)N(C(=O)N(C2=O)CC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)CC4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C
• Uses: Tris(3,5-di-tert-butyl-4-hydroxybenzyl) Isocyanurate(Antioxidant3114) is used an as antioxidant-stabilizer in polyolefin films intended for packaging nonfatty food as well as an antioxidant in propylene copolymers. Tris(3,5-di-tert-butyl-4-hydroxybenzyl) Isocyanurate is used an as antioxidant-stabilizer in polyolefin films intended for packaging nonfatty food as well as an antioxidant in propylene copolymers.

Technology Process of 1,3,5-Tris(3,5-di-tert-butyl-4-hydroxybenzyl)-1,3,5-triazinane-2,4,6-trione

There total 2 articles about 1,3,5-Tris(3,5-di-tert-butyl-4-hydroxybenzyl)-1,3,5-triazinane-2,4,6-trione 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: 92.3%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + cyanuric acid (108-80-5,27026-93-3,27941-25-9) + 2,6-di-tert-butylphenol (128-39-2) → 1,3,5-tris(3,5-di-tert-butyl-4-hydroxybenzyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione (27676-62-6)

Guidance literature:

With hexamethylenetetramine; In methanol; water; at 120 - 140 ℃; for 6h; under 4500.45 Torr; Pressure; Autoclave; Inert atmosphere;

Reference yield:

→ 1,3,5-tris(3,5-di-tert-butyl-4-hydroxybenzyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione (27676-62-6)

Guidance literature:

Aus 2,6-Di-tert-butyl-phenol, Cyanursaeure und Paraformaldehyd;

upstream raw materials:

formaldehyd

cyanuric acid

2,6-di-tert-butylphenol

Refernces

• 1、 -. "Thioether substituted hydroxybenzophenones and stabilized compositions". . . Retrieved 2008/06/13.
• 2、 -. "2-(2′-hydroxyphenyl) benzotriazoles containing a 2,4-imidazolidinedione group and process for their preparation". . . Retrieved 2008/06/13.