2,2,6,6-Tetramethylcyclohexanone

Base Information

• Chemical Name: 2,2,6,6-Tetramethylcyclohexanone
• CAS No.: 1195-93-3
• Molecular Formula: C10H18 O
• Molecular Weight: 154.252
• Hs Code.: 2914299000
• European Community (EC) Number: 631-445-4
• DSSTox Substance ID: DTXSID00152477
• Nikkaji Number: J514.418C
• Wikidata: Q83019111
• Mol file: 1195-93-3.mol

Synonyms:2,2,6,6-tetramethylcyclohexanone;1195-93-3;2,2,6,6-tetramethylcyclohexan-1-one;2,2,6,6,-Tetramethylcyclohexanone;2,2,6,6-tetramethyl-cyclohexanone;cyclohexanone, 2,2,6,6-tetramethyl-;SCHEMBL506194;DTXSID00152477;BAA19593;2,2,6,6-Tetramethyl cyclohexanone;MFCD00049190;2,2,6,6-tetra-methyl cyclohexanone;AKOS000277702;2,2,6,6-tetramethyl-cyclohexan-1-one;AS-10673;CS-0215635;FT-0633459;E72962;EN300-268202

Chemical Property of 2,2,6,6-Tetramethylcyclohexanone

Chemical Property:

• Vapor Pressure: 0.457mmHg at 25°C
• Melting Point: 27.18°C (estimate)
• Refractive Index: 1.448
• Boiling Point: 63-64 °C (15 mmHg)
• Flash Point: 63.9°C
• PSA: 17.07000
• Density: 0.857g/cm³
• LogP: 2.79180
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 154.135765193
• Heavy Atom Count: 11
• Complexity: 159

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1(CCCC(C1=O)(C)C)C

Technology Process of 2,2,6,6-Tetramethylcyclohexanone

There total 30 articles about 2,2,6,6-Tetramethylcyclohexanone 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: 93.0%

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + methyl iodide (74-88-4) → 2,2,6,6-tetramethylcyclohexanone (1195-93-3)

Guidance literature:

With potassium hydroxide; 18-crown-6 ether; In toluene; at 70 ℃; for 1h;

Reference yield: 89.0%

2,2,6,6-Tetramethylcyclohexanone oxime (7007-40-1) → 2,2,6,6-tetramethylcyclohexanone (1195-93-3)

Guidance literature:

With N,N'-dichlorobis(2,4,6-trichlorodiphenyl)urea; water; In acetonitrile; at 20 ℃; for 0.666667h;

DOI:10.3184/030823407X218093

Reference yield: 76.0%

1,1,3,3-Tetramethyl-2-methylencyclohexan (29779-78-0) → 2,2,6,6-tetramethylcyclohexanone (1195-93-3)

Guidance literature:

With ozone; In diethyl ether; at -70 ℃;

DOI:10.1016/S0040-4020(01)01183-8

upstream raw materials:

2,2,6-trimethylcyclohexan-1-one

cyclohexanone

methyl iodide

2,6-dimethylcyclohexanone

Downstream raw materials:

2,2,6,6,2',2',6',6'-octamethyl-1,1'-ethynediyl-bis-cyclohexanol

1-Benzyl-2,2,6,6-tetramethyl-cyclohexanol

2'-Methoxy-2,2,6,6-tetramethyl-bicyclohexyl-1'-en-1-ol

1,1,3,3-Tetramethyl-2-methylencyclohexan

Refernces

• 1、 Bierenstiel, Matthias,D'Hondt, Paul J.,Schlaf, Marcel. "Investigations into the selective oxidation of vicinal diols to α-hydroxy ketones with the NaBrO3/NaHSO3 reagent: PH dependence, stoichiometry, substrates and origin of selectivity". . p. 4911 - 4917. Retrieved 2007/10/03.
• 2、 Smith, John R. Lindsay,Thomas, C. Barry,Whittaker, Mark. "Oxidation of α-Substituted Cyclohexanols by Nitric Acid". . p. 2191 - 2194. Retrieved 2007/10/02.