2,6-Di-tert-butyl-4-methylcyclohexanol

Base Information

• Chemical Name: 2,6-Di-tert-butyl-4-methylcyclohexanol
• CAS No.: 163119-16-2
• Molecular Formula: C15H30O
• Molecular Weight: 226.403
• Hs Code.: 2906199090
• DSSTox Substance ID: DTXSID00889039
• Mol file: 163119-16-2.mol

Synonyms:163119-16-2;2,6-Di-tert-butyl-4-methylcyclohexanol;2,6-Bis-tert-butyl-4-methylcyclohexanol;Cyclohexanol, 2,6-bis(1,1-dimethylethyl)-4-methyl-;2,6-ditert-butyl-4-methylcyclohexan-1-ol;2,6-di-tert-butyl-4-methylcyclohexan-1-ol;MFCD00278493;2,6-di(tert-butyl)-4-methylcyclohexan-1-ol;4-METHYL-2,6-BIS(2-METHYL-2-PROPANYL)CYCLOHEXANOL;SCHEMBL3104581;SCHEMBL19311623;DTXSID00889039;1-AMINO-1-ETHYLCYCLOHEXANE;AMY11224;AKOS015915350;DS-17713;SY104175;CS-0152692;FT-0654636;O10632;A810447

Chemical Property of 2,6-Di-tert-butyl-4-methylcyclohexanol

Chemical Property:

• Vapor Pressure: 0.000937mmHg at 25°C
• Refractive Index: 1.462
• Boiling Point: 269.863 °C at 760 mmHg
• PKA: 15.36±0.70(Predicted)
• Flash Point: 112.226 °C
• PSA: 20.23000
• Density: 0.885 g/cm³
• LogP: 4.10180
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 226.229665576
• Heavy Atom Count: 16
• Complexity: 207

Purity/Quality:

98% ^*data from raw suppliers

2,6-Ditert-butyl-4-methylcyclohexan-1-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(C(C(C1)C(C)(C)C)O)C(C)(C)C
• Uses: 2,6-ditert-butyl-4-methylcyclohexan-1-ol is a useful research chemical.

Technology Process of 2,6-Di-tert-butyl-4-methylcyclohexanol

There total 3 articles about 2,6-Di-tert-butyl-4-methylcyclohexanol 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: 98.1%

2,6-di-tert-butyl-4-methyl-phenol (128-37-0) → 2,6-di-tert-butyl-4-methylcyclohexanol (163119-16-2)

Guidance literature:

With hydrogen; In water; at 60 ℃; for 12h; under 7500.75 Torr; Autoclave;

DOI:10.1039/c6ta01317a

Reference yield:

2,6-di-tert-butyl-4-methylcyclohexanone (23790-39-8) → 2,6-di-tert-butyl-4-methylcyclohexanol (163119-16-2)

Guidance literature:

With hydrogen; at 200 ℃; under 45004.5 Torr; Temperature; Pressure;

Reference yield:

2,4-di-t-butyl-3-methyl phenol (608-48-0) + 2,6-di-tert-butyl-4-methylcyclohexanone (23790-39-8) → 2,6-di-tert-butyl-4-methylcyclohexanol (163119-16-2)

Guidance literature:

With hydrogenchloride; aluminum nickel; In tetrahydrofuran; methanol; ethyl acetate; isopropyl alcohol;

upstream raw materials:

2,4-di-t-butyl-3-methyl phenol

2,6-di-tert-butyl-4-methylcyclohexanone

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

Downstream raw materials:

C₂₆H₃₈N₂O₂

C₃₇H₄₇N₅O₄

C₂₄H₃₈N₂O₄

C₂₃H₃₈N₂O₃

Refernces

• 1、 -. "Reaction process for preparing 2,6-di-tert-butyl-4-methylcyclohexanol". Paragraph 0019-0025. . Retrieved 2019/12/25.
• 2、 -. "Method of preparing 2,6-di-tert-butyl-4-methylcyclohexanol through catalytic hydrogenation". Paragraph 0021-0028. . Retrieved 2019/05/15.