1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)ethanone

Base Information

• Chemical Name: 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)ethanone
• CAS No.: 1197-92-8
• Molecular Formula: C11H18O
• Molecular Weight: 166.263
• Hs Code.: 2914299000
• European Community (EC) Number: 601-634-6
• DSSTox Substance ID: DTXSID301254944
• Mol file: 1197-92-8.mol

Synonyms:1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)ethanone;1197-92-8;Ethanone, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-;SCHEMBL1782075;DTXSID301254944;2,2,6-Trimethyl-1-acetylcyclohexen;2,6,6-trimethyl-1-cyclohexenyl methyl ketone;2,6,6-trimethyl-cyclohex-1-enyl methyl ketone;1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)ethanone #

Chemical Property of 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)ethanone

Chemical Property:

• Vapor Pressure: 0.0544mmHg at 25°C
• Boiling Point: 87-89 °C(Press: 16 Torr)
• PSA: 17.07000
• Density: 0.896±0.06 g/cm3(Predicted)
• LogP: 3.10200
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 166.135765193
• Heavy Atom Count: 12
• Complexity: 233

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(CCC1)(C)C)C(=O)C

Technology Process of 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)ethanone

There total 14 articles about 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)ethanone 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: 98.2%

α,2,6,6-tetramethyl-1-cyclohexene-1-methanol (54345-61-8) → 1-(2,6,6-trimethyl-cyclohex-1-enyl)-ethanone (1197-92-8)

Guidance literature:

With tetrapropylammonium perruthennate; 4 A molecular sieve; 4-methylmorpholine N-oxide; In dichloromethane; for 2h; cooling;

DOI:10.1021/ol062456c

Reference yield: 85.0%

2,6,6-trimethyl-3-cyclohexenyl methyl ketone (25915-53-1,41436-48-0) → 1-(2,6,6-trimethyl-cyclohex-1-enyl)-ethanone (1197-92-8)

Guidance literature:

With SO₄₂-/ZrO₂ solid superacid catalyst; at 300 - 380 ℃; under 45 Torr; Inert atmosphere; Large scale;

Reference yield:

1-α-acetyl-2-β,6,6-trimethyl-3-cyclohexene (41435-93-2,41436-48-0) + 2,6,6-trimethyl-2-cyclohexenyl methyl ketone (37709-66-3) → 1-(2,6,6-trimethyl-cyclohex-1-enyl)-ethanone (1197-92-8)

Guidance literature:

With sodium carbonate; In water;

upstream raw materials:

methyl magnesium iodide

2,6,6-trimethyl-cyclohex-1-enecarboxylic acid

α,2,6,6-tetramethyl-1-cyclohexene-1-methanol

2,2,6-trimethylcyclohexan-1-one

Downstream raw materials:

1-(2,6,6-trimethyl-cyclohex-1-enyl)-ethanone (6-chloro-pyridazin-3-yl)-hydrazone

(E)-1-(2,6,6-trimethylcyclohex-1-enyl)-3-(3-furyl)prop-2-en-1-one

1-[1,1-dimethylethyl(dimethyl)silyloxy]ethenyl-2,6,6-trimethylcyclohexene

2,6,6-trimethylcyclohex-1-enecarbaldehyde

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