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3,3-Dimethylcyclohexanone

Base Information Edit
  • Chemical Name:3,3-Dimethylcyclohexanone
  • CAS No.:2979-19-3
  • Molecular Formula:C8H14O
  • Molecular Weight:126.199
  • Hs Code.:29142990
  • European Community (EC) Number:628-905-1
  • DSSTox Substance ID:DTXSID6062753
  • Nikkaji Number:J421.648B
  • Wikidata:Q72469691
  • Mol file:2979-19-3.mol
3,3-Dimethylcyclohexanone

Synonyms:3,3-Dimethylcyclohexanone;2979-19-3;3,3-dimethylcyclohexan-1-one;Cyclohexanone, 3,3-dimethyl-;3,3-Dimethylcyclohexane-1-one;3,3-Dimethyl-cyclohexanone;MFCD00040178;EC 628-905-1;SCHEMBL8749;3,3-dimethyl-cyclohexan-1-one;DTXSID6062753;ZVJQBBYAVPAFLX-UHFFFAOYSA-;3,3-Dimethylcyclohexanone, 90%;BCP15134;BBL102145;STL555944;AKOS015842162;AM84905;GS-3690;SB12145;CS-0010863;D3495;FT-0634586;EN300-72418;F14897;J-017641

Suppliers and Price of 3,3-Dimethylcyclohexanone
Supply Marketing:Edit
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
  • TRC
  • 3,3-Dimethylcyclohexanone
  • 1g
  • $ 50.00
  • TRC
  • 3,3-Dimethylcyclohexanone
  • 25g
  • $ 165.00
  • TCI Chemical
  • 3,3-Dimethylcyclohexanone >97.0%(GC)
  • 5g
  • $ 76.00
  • TCI Chemical
  • 3,3-Dimethylcyclohexanone >97.0%(GC)
  • 1g
  • $ 25.00
  • SynQuest Laboratories
  • 3,3-Dimethylcyclohexanone
  • 250 g
  • $ 712.00
  • SynQuest Laboratories
  • 3,3-Dimethylcyclohexanone
  • 100 g
  • $ 376.00
  • Sigma-Aldrich
  • 3,3-Dimethylcyclohexanone 90%
  • 10g
  • $ 48.60
  • Matrix Scientific
  • 3,3-Dimethylcyclohexanone 97%
  • 25g
  • $ 280.00
  • Matrix Scientific
  • 3,3-Dimethylcyclohexanone 97%
  • 100g
  • $ 650.00
  • Labseeker
  • 3,3-Dimethylcyclohexanone 98
  • 250g
  • $ 400.00
Total 109 raw suppliers
Chemical Property of 3,3-Dimethylcyclohexanone Edit
Chemical Property:
  • Vapor Pressure:1.46mmHg at 25°C 
  • Melting Point:9.25°C (estimate) 
  • Refractive Index:n20/D 1.449(lit.) 
  • Boiling Point:170.6 °C at 760 mmHg 
  • Flash Point:50.1 °C 
  • PSA:17.07000 
  • Density:0.892 g/cm3 
  • LogP:2.15570 
  • Storage Temp.:Inert atmosphere,Room Temperature 
  • Water Solubility.:Insoluble in water. 
  • XLogP3:1.8
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Rotatable Bond Count:0
  • Exact Mass:126.104465066
  • Heavy Atom Count:9
  • Complexity:125
Purity/Quality:

98% *data from raw suppliers

3,3-Dimethylcyclohexanone *data from reagent suppliers

Safty Information:
  • Pictogram(s): IrritantXi 
  • Hazard Codes:Xi 
  • Statements: 41-36-10 
  • Safety Statements: 26-38 
MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:
  • Canonical SMILES:CC1(CCCC(=O)C1)C
  • Uses An interest in the boll weevil sex attractants prompted an investigation into alternative syntheses of the starting material, 3, 3-dimethylcyclohexanone.
Technology Process of 3,3-Dimethylcyclohexanone

There total 66 articles about 3,3-Dimethylcyclohexanone 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:
Guidance literature:
With hydrogen; palladium on activated charcoal; In ethyl acetate;
DOI:10.1016/S0040-4020(01)80453-1
Guidance literature:
With potassium hexafluorophosphate; tert.-butylnitrite; 9-azabicyclo<3.3.1>nonane-N-oxyl; oxygen; In water; at 60 ℃; for 2h; under 3750.38 Torr; Autoclave; Green chemistry;
DOI:10.1016/j.tetlet.2017.01.012
Guidance literature:
With copper(I) iodide-lithium chloride; In tetrahydrofuran; at 0 ℃; for 0.5h;
DOI:10.1016/0022-328X(95)05699-P
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