1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxybenzyl)benzene

Base Information

• Chemical Name: 1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxybenzyl)benzene
• CAS No.: 1709-70-2
• Deprecated CAS: 58968-88-0,90651-36-8,99346-90-4,357341-49-2,1224882-68-1,1585209-79-5,681145-04-0,357341-49-2,90651-36-8,99346-90-4
• Molecular Formula: C54H78O3
• Molecular Weight: 775.212
• Hs Code.: 2907299000
• European Community (EC) Number: 216-971-0
• NSC Number: 85846
• UNII: 51DM34B894
• DSSTox Substance ID: DTXSID6027428
• Nikkaji Number: J13.057E
• Wikidata: Q27260892
• Mol file: 1709-70-2.mol

Synonyms:1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxytolyl)benzene;1,3,5-Tris(3,5-di-tert-butyl-4-hydroxyphenylmethyl)-2,4,6-trimethylbenzene;2,4,6-Bis(4-hydroxy-3,5-di-tert-butylbenzyl)mesitylene;2,4,6-Tris(3',5'-di-tert-butyl-4'-hydroxybenzyl)mesitylene;ADK Stab A 330;AO 330;Agidol 40;Alvinox 100;Antioxidant 330;Good-rite 1330;Ionox 330;Irganox 330;Mark AO 330;Seenox 326M;

Chemical Property of 1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxybenzyl)benzene

Chemical Property:

• Appearance/Colour: White crystalline powder
• Vapor Pressure: 5.02E-22mmHg at 25°C
• Melting Point: 248-250 °C(lit.)
• Refractive Index: 1.546
• Boiling Point: 730 °C at 760 mmHg
• PKA: 11.91±0.40(Predicted)
• Flash Point: 240 °C
• PSA: 60.69000
• Density: 1.004 g/cm³
• LogP: 14.28600
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly), Methanol (Very Slightly, Heated, Sonicated)
• Water Solubility.: 8.09μg/L at 20℃
• XLogP3: 17.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 12
• Exact Mass: 774.59509635
• Heavy Atom Count: 57
• Complexity: 1030

Purity/Quality:

99% ^*data from raw suppliers

1,?3,?5-?Trimethyl-?2,?4,?6-?tris(3,?5-?di-?tert-?butyl-?4-?hydroxybenzyl)?benzene ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(C(=C(C(=C1CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C)CC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)C)CC4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C
• Uses: 1,3,5-trimethyl-2,4,6-tris(3,5-di-t-butyl-4-hydroxybenzyl)benzene, commercially known as Irganox 1330 and Ethanox 330, is a sterically hindered phenolic antioxidant that protects organic substrates against thermo-oxidative degradation. Irganox 1330 / Ethanox 330 is used in polyolefins (e.g., polyethylene, polypropylene, polybutene) for the stabilization of pipes, molded articles, wires and cables, dielectric films and in other polymers such as engineering plastics like linear polyesters, polyamides, and styrene homo- and copolymers. It may also be used in PVC, polyurethanes, elastomers, adhesives, and other organic substrates. This product has been regulated by the FDA for use in all polymers at a maximum level of 0.5% except for nylon resins where the maximum use level is 1%. The resultant polymers would conceivably contact all food types with no temperature restrictions. 1,?3,?5-?Trimethyl-?2,?4,?6-?tris(3,?5-?di-?tert-?butyl-?4-?hydroxybenzyl)?benzene is a phenolic antioxidant that is used as a polymer additive found in polyethylene, polypropylene, and polyvinyl chloride packaging materials. Antioxidant for polypropylene, high-density polyethylene, spandex fibers, polyamides, and specialty rubbers.

Technology Process of 1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxybenzyl)benzene

There total 12 articles about 1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxybenzyl)benzene 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: 99.5%

2,6-di-tert-butylphenol (128-39-2) + 2,4,6-tris(chloromethyl)-mesitylene (3849-01-2) → 1,3,5-trimethyl-2,4,6-tris-(3,5-di-tert-butyl-4-hydroxybenzyl)benzene (1709-70-2)

Guidance literature:

With hydrogenchloride; 15-crown-5; 3,4,7,8-Tetramethyl-o-phenanthrolin; cadmium(II) iodide; ytterbium(III) triflate; In tetrachloromethane; water; at 50 ℃; for 10h; Concentration; Reagent/catalyst; Temperature; Solvent; Catalytic behavior;

Reference yield: 91.2%

2,6-di-tert-butyl-4-methoxymethylene-phenol (87-97-8) + 1,3,5-trimethyl-benzene (108-67-8) → 1,3,5-trimethyl-2,4,6-tris-(3,5-di-tert-butyl-4-hydroxybenzyl)benzene (1709-70-2)

Guidance literature:

With ferroferric oxide-ZSM-5 molecular sieve supported phosphoric acid; In dichloromethane; at 10 ℃; for 2h; Temperature;

Reference yield: 87.2%

→ 1,3,5-trimethyl-2,4,6-tris-(3,5-di-tert-butyl-4-hydroxybenzyl)benzene (1709-70-2)

Guidance literature:

upstream raw materials:

1,3,5-tris(3,5-di-tert-butyl-4-hydroxybenzyl)-2,4,6-trimethylbenzene radical

2,6-di-tert-butyl-4-methoxymethylene-phenol

1,3,5-trimethyl-benzene

2,6-di-tert-butylphenol

Downstream raw materials:

1.3.5-Trimethyl-2.4.6-tris-<3.5-bis-(tert.-butyl)-4-oxo-cyclohexadien-(2.5)-yliden-(1)-methyl>-benzol

Refernces

• 1、 -. "Bifunctional compound and synthesis method thereof, and applications of bifunctional compound as antioxidant". . . Retrieved 2020/02/14.
• 2、 -. "Method for synthesizing multi-hindered phenolic antioxidant 330". Paragraph 0022-0024. . Retrieved 2018/11/03.