4-Acetyl-4-methylcyclohexanone

Base Information

• Chemical Name: 4-Acetyl-4-methylcyclohexanone
• CAS No.: 6848-93-7
• Molecular Formula: C9H14O2
• Molecular Weight: 154.209
• Hs Code.: 2914299000
• DSSTox Substance ID: DTXSID40505968
• Nikkaji Number: J1.486.407E
• Wikidata: Q72435399
• Mol file: 6848-93-7.mol

Synonyms:4-acetyl-4-methylcyclohexanone;6848-93-7;4-Acetyl-4-methylcyclohexan-1-one;SCHEMBL17110191;4-Acetyl-4-methyl-cyclohexanone;DTXSID40505968;AKOS006278898;FT-0742025;A25798

Chemical Property of 4-Acetyl-4-methylcyclohexanone

Chemical Property:

• Vapor Pressure: 0.035mmHg at 25°C
• Refractive Index: 1.4744
• Boiling Point: 241.726oC at 760 mmHg
• Flash Point: 88.465oC
• PSA: 34.14000
• Density: 1.01g/cm3
• LogP: 1.72480
• Storage Temp.: 2-8°C
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 154.099379685
• Heavy Atom Count: 11
• Complexity: 184

Purity/Quality:

97% ^*data from raw suppliers

4-Acetyl-4-methylcyclohexanone 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1(CCC(=O)CC1)C

Technology Process of 4-Acetyl-4-methylcyclohexanone

There total 4 articles about 4-Acetyl-4-methylcyclohexanone 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: 63.0%

4-acetyl-4-methyl-heptanedioic acid (19830-09-2) → 4-acetyl-4-methyl cyclohexanone (6848-93-7)

Guidance literature:

With acetic anhydride; for 14h; Heating;

DOI:10.1039/P29810000026

Reference yield:

4-acetyl-4-methyl-heptanedinitrile (1681-17-0) → 4-acetyl-4-methyl cyclohexanone (6848-93-7)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂O / Alkaline hydrolysis

2: acetic anhydride / 1 - 3 Torr

With acetic anhydride; In water;

DOI:10.1080/00397910500516381

Reference yield:

1-(8-methyl-1,4-dioxa-spiro[4.5]dec-8-yl)-ethanone (7105-77-3) → 4-acetyl-4-methyl cyclohexanone (6848-93-7)

Guidance literature:

With sulfuric acid; In ethanol; Heating;

upstream raw materials:

1-(8-methyl-1,4-dioxa-spiro[4.5]dec-8-yl)-ethanone

4-acetyl-4-methyl-heptanedioic acid

4-acetyl-4-methyl-heptanedinitrile

Downstream raw materials:

4-Hydroxy-1-methylbicyclo<2.2.2>octan-2-on-(4-methylphenyl)sulfonylhydrazon

1-methyl-4-methylenecyclohexanecarboxylic acid

1-(1-methyl-cyclohex-3-enyl)-ethanol

1-methoxy-4-phenylbicyclo[2.2.2]octane