4,4'-Thiobis(6-tert-butyl-m-cresol)

Base Information

• Chemical Name: 4,4'-Thiobis(6-tert-butyl-m-cresol)
• CAS No.: 96-69-5
• Deprecated CAS: 126340-60-1,12671-70-4,188253-47-6,52012-53-0,60318-32-3,76996-60-6,381726-02-9,914648-51-4,12671-70-4,188253-47-6,381726-02-9,52012-53-0,60318-32-3,76996-60-6
• Molecular Formula: C22H30O2S
• Molecular Weight: 358.545
• Hs Code.: 29309070
• European Community (EC) Number: 202-525-2
• NSC Number: 35388
• UNII: 3CA5G9822V
• DSSTox Substance ID: DTXSID4021341
• Nikkaji Number: J5.161F
• Wikidata: Q20965073
• ChEMBL ID: CHEMBL1526319
• Mol file: 96-69-5.mol

Synonyms:4,4'-thiobis(6-t-butyl-m-cresol);4,4'-thiobis(6-tert-butyl-3-cresol)

Chemical Property of 4,4'-Thiobis(6-tert-butyl-m-cresol)

Chemical Property:

• Appearance/Colour: White or light gray to tan powder
• Vapor Pressure: 1.14E-09mmHg at 25°C
• Melting Point: 160-165 °C
• Refractive Index: 1.594
• Boiling Point: 475.6 °C at 760 mmHg
• PKA: 10.76±0.36(Predicted)
• Flash Point: 230.7 °C
• PSA: 65.76000
• Density: 1.11 g/cm³
• LogP: 6.46080
• Storage Temp.: Store below +30°C.
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Water Solubility.: <0.01 g/100 mL at 18℃
• XLogP3: 7.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 358.19665137
• Heavy Atom Count: 25
• Complexity: 396

Purity/Quality:

99% ^*data from raw suppliers

4,4''-Thiobis(2-tert-butyl-5-methylphenol) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,N
• Statements: 36/37/38-50/53-43
• Safety Statements: 37/39-26-61-60-36/37-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Plastics & Rubber -> Curing Agents (Aromatic)
• Canonical SMILES: CC1=CC(=C(C=C1SC2=CC(=C(C=C2C)O)C(C)(C)C)C(C)(C)C)O
• Uses: As an antioxidant in the rubber and plastics industry; as a stabilizer in polyethylene and polyolefin packaging materials for foodstuffs. 4,4''-Thiobis(2-tert-butyl-5-methylphenol) is an antioxidant. 4,4''-Thiobis(2-tert-butyl-5-methylphenol) is a radical inhibitor which prevented thermal decomposition of the peracid. Protection of light-colored rubber from oxidation and of nonstaining neoprene compounds against deterioration.

Technology Process of 4,4'-Thiobis(6-tert-butyl-m-cresol)

There total 2 articles about 4,4'-Thiobis(6-tert-butyl-m-cresol) 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: 91.0%

2-tert-Butyl-5-methylphenol (88-60-8) → Santonox R (96-69-5)

Guidance literature:

2-tert-Butyl-5-methylphenol; With iodine; silver trifluoroacetate; In chloroform; at 20 ℃; for 0.5h; Darkness;

With copper; magnesium sulfate; triethylamine; thiourea; In chloroform; for 4h; Reflux;

Reference yield:

→ Santonox R (96-69-5)

Guidance literature:

Cresol I u. II, SCl2;

Reference yield: 63.0%

Santonox R (96-69-5) → 2,2'-Di-tert-butyl-5,5'-dimethyl-4,4'-sulfinyl-di-phenol (31710-39-1)

Guidance literature:

With C₂₈H₁₂Br₄N₁₂OV⁽⁴⁺⁾*4CBr₃^(1-); dihydrogen peroxide; In water; acetonitrile; at 20 ℃; for 3h; chemoselective reaction;

DOI:10.1016/j.poly.2019.05.007

upstream raw materials:

2-tert-Butyl-5-methylphenol

Downstream raw materials:

bis-(5-tert-butyl-4-hydroxy-2-methyl-3-pyrrolidinomethyl-phenyl)-sulfide

bis-(5-tert-butyl-4-hydroxy-2-methyl-3-piperidinomethyl-phenyl)-sulfide

2,2'-Di-tert-butyl-5,5'-dimethyl-4,4'-sulfinyl-di-phenol

6,6'-di-tert-butyl-2,2'-bis-dimethylaminomethyl-3,3'-dimethyl-4,4'-sulfanediyl-di-phenol

Refernces

• 1、 -. "4-Formyl amino-n-methylpiperidine derivatives, the use thereof as stabilisers and organic material stabilised therewith". . . Retrieved 2008/06/13.
• 2、 -. "Lubricant composition". . . Retrieved 2008/06/13.