Ethanone, 1-(3,3-dimethyl-1-cyclohexen-1-yl)-

Base Information

• Chemical Name: Ethanone, 1-(3,3-dimethyl-1-cyclohexen-1-yl)-
• CAS No.: 22463-19-0
• Molecular Formula: C10H16O
• Molecular Weight: 152.236
• Hs Code.: 2914299000
• DSSTox Substance ID: DTXSID2066802
• Nikkaji Number: J1.606.026G
• Wikidata: Q81993381
• Mol file: 22463-19-0.mol

Synonyms:22463-19-0;Ethanone, 1-(3,3-dimethyl-1-cyclohexen-1-yl)-;1-(3,3-dimethylcyclohexen-1-yl)ethanone;1-(3,3-dimethylcyclohex-1-en-1-yl)ethanone;Acetyl-1-(dimethyl-3,3-cyclohexene-1);SCHEMBL442745;DTXSID2066802;1-acetyl-3,3-dimethyl-1-cyclohexene;1-(3,3-dimethylcyclohex-1-en-1-yl)ethan-1-one;Ethanone, 1-(3,3-dimethyl-1-cylcohexen-1-yl)-

Chemical Property of Ethanone, 1-(3,3-dimethyl-1-cyclohexen-1-yl)-

Chemical Property:

• Vapor Pressure: 0.128mmHg at 25°C
• Refractive Index: 1.459
• Boiling Point: 218.1 °C at 760 mmHg
• Flash Point: 80.6 °C
• PSA: 17.07000
• Density: 0.909 g/cm³
• LogP: 2.71190
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 152.120115130
• Heavy Atom Count: 11
• Complexity: 199

Purity/Quality:

99% ^*data from raw suppliers

1-(3,3-Dimethylcyclohex-1-en-1-yl)ethanone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)C1=CC(CCC1)(C)C

Technology Process of Ethanone, 1-(3,3-dimethyl-1-cyclohexen-1-yl)-

There total 6 articles about Ethanone, 1-(3,3-dimethyl-1-cyclohexen-1-yl)- 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: 49.0%

3,3-dimethyl-1-trimethylsilylcyclohexene (57613-54-4) + acetyl chloride (75-36-5) → 1-(3',3'-dimethylcyclohex-1'-enyl)ethanone (22463-19-0)

Guidance literature:

With aluminium trichloride; In dichloromethane; at 0 ℃; for 6.25h;

Reference yield:

1-ethynyl-3,3-dimethylcyclohexan-1-ol (57559-98-5) → 1-(5',5'-dimethylcyclohex-1'-enyl)ethanone (57738-06-4) + 1-(3',3'-dimethylcyclohex-1'-enyl)ethanone (22463-19-0)

Guidance literature:

With silver trifluoromethanesulfonate; In tert-butyl alcohol; at 80 ℃; for 1.75h; Reagent/catalyst; Overall yield = 89.6 %; Inert atmosphere;

Reference yield:

3,7-dimethyloct-6-en-1-yn-3-ol (29171-20-8) → 1-(3',3'-dimethylcyclohex-1'-enyl)ethanone (22463-19-0)

Guidance literature:

With methanol; fluorosulphonic acid; Yield given. Multistep reaction; 1) -60 deg C, 2) ether;

upstream raw materials:

3,7-dimethyloct-6-en-1-yn-3-ol

3,3-dimethyl-1-trimethylsilylcyclohexene

acetyl chloride

1-ethynyl-3,3-dimethylcyclohexan-1-ol

Downstream raw materials:

1-(3',3'-dimethylcyclohex-1'-enyl)ethanol