2,2'-Methylenebis(4-methyl-6-tert-butylphenol)

Base Information

• Chemical Name: 2,2'-Methylenebis(4-methyl-6-tert-butylphenol)
• CAS No.: 119-47-1
• Deprecated CAS: 107397-49-9,110736-51-1,12737-12-1,129514-93-8,149984-87-2,37268-48-7,52683-48-4,53807-25-3,54650-81-6,56509-58-1,59112-68-4,62339-93-9,67556-84-7,69645-40-5,90297-42-0,92880-05-2,111214-56-3,537040-81-6,110736-51-1,111214-56-3,12737-12-1,129514-93-8,149984-87-2,37268-48-7,52683-48-4,537040-81-6,53807-25-3,54650-81-6,56509-58-1,59112-68-4,62339-93-9,67556-84-7,90297-42-0,92880-05-2
• Molecular Formula: C23H32O2
• Molecular Weight: 340.506
• Hs Code.: 2907.19
• European Community (EC) Number: 204-327-1
• NSC Number: 7781
• UNII: KVM0X4X57B
• DSSTox Substance ID: DTXSID4020870
• Nikkaji Number: J36.831H
• Wikidata: Q16830225
• Metabolomics Workbench ID: 101119
• ChEMBL ID: CHEMBL460648
• Mol file: 119-47-1.mol

Synonyms:2,2'-methylenebis(4-methyl-6-tert-butylphenol);2,2'-methylenebis(6-tert-butyl-4-cresol);bis(2-hydroxy-3-tert-butyl-5-methylphenyl)methane;GERI-BP002-A;MBMBP

Chemical Property of 2,2'-Methylenebis(4-methyl-6-tert-butylphenol)

Chemical Property:

• Appearance/Colour: white to pale creamy crystalline powder
• Vapor Pressure: <1 hPa
• Melting Point: 123-127 °C(lit.)
• Refractive Index: 1.4480 (estimate)
• Boiling Point: 428.6 °C at 760 mmHg
• PKA: 11.32±0.48(Predicted)
• Flash Point: 181.2 °C
• PSA: 40.46000
• Density: 1.026 g/cm³
• LogP: 5.90040
• Storage Temp.: Store below +30°C.
• Solubility.: 0.007mg/l practically insoluble
• Water Solubility.: 7μg/L at 20℃
• XLogP3: 7.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 340.240230259
• Heavy Atom Count: 25
• Complexity: 390

Purity/Quality:

99%min ^*data from raw suppliers

2,2-Bis ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36-62-53
• Safety Statements: 26-36-60-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Plastics & Rubber -> Curing Agents (Aromatic)
• Canonical SMILES: CC1=CC(=C(C(=C1)C(C)(C)C)O)CC2=C(C(=CC(=C2)C)C(C)(C)C)O
• Uses: LOWINOX? 22M46 stabilizer is a non-discoloring antioxidant based on a sterically hindered alkylated bis-phenol. It may be incorporated into the bromobutyl rubber(BIIR) matrix to enhance the overall thermo-reversibility of dicyclopentadiene dicarboxylic acid (DCPDCA) cross-linked BIIR. It may also be used as an antioxidant which shows a higher oxidation stability in distilled biodiesel.

Technology Process of 2,2'-Methylenebis(4-methyl-6-tert-butylphenol)

There total 17 articles about 2,2'-Methylenebis(4-methyl-6-tert-butylphenol) 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: 100.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + p-cresol (106-44-5) + tert-butyl methyl ether (1634-04-4) → 2,2'-dihydroxy-5,5'-dimethyl-3,3'-di-tert-burtyl-1,1'-diphenylmethane (119-47-1)

Guidance literature:

With sulfonated multi-walled carbon nanotubes; In neat (no solvent); at 100 ℃; for 2.5h; regiospecific reaction; Catalytic behavior;

DOI:10.1139/cjc-2013-0160

Reference yield: 99.1%

→ 2,2'-dihydroxy-5,5'-dimethyl-3,3'-di-tert-burtyl-1,1'-diphenylmethane (119-47-1)

Guidance literature:

Reference yield: 97.0%

Dimethoxymethane (109-87-5) + 2-tert-Butyl-4-methylphenol (2409-55-4) → 2,2'-dihydroxy-5,5'-dimethyl-3,3'-di-tert-burtyl-1,1'-diphenylmethane (119-47-1)

Guidance literature:

With acid clay; at 170 ℃; for 2h; Reagent/catalyst; Temperature;

upstream raw materials:

formaldehyd

2-tert-Butyl-4-methylphenol

Dimethoxymethane

formaldehyde diethyl acetal

Downstream raw materials:

2,2'-Methylenbis-(4-methyl-4-tert-butylperoxy-6-tert-butyl-cyclohexa-2,5-dienon)

diethylamine

bis[3-tert-butyl-5-methyl-2-(5,5-dimethyl-1,3,2-dioxaphosphorinan-2-yloxy)phenyl]methane

2,2-diphenyl-1-picrylhydrazine

Refernces

• 1、 Al Zoubi, Wail,Karabet, Fran?ois,Al Bandakji, Rana,Hussein, Khansaa. "Experimental and theoretical investigations of the antioxidant activity of 2,2′-methylenebis(4,6-dialkylphenol) compounds". . . Retrieved 2017.
• 2、 Crites, Charles-Oneil L.,Gomes de Mendon?a, Fernanda,Netto-Ferreira, José Carlos,Baker, R. Tom,Hallett-Tapley, Geniece L.,Tremblay, Luc. "Exploiting the photocatalytic activity of TiO2towards the depolymerization of Kraft lignin". . p. 15371 - 15377. Retrieved 2021.
• 3、 -. "Antioxidant bisphenol compounds clean production method and application (by machine translation)". Paragraph 0054; 0055. . Retrieved 2016/11/28.