4-Ethyl-4-methylcyclohexanone

Base Information

• Chemical Name: 4-Ethyl-4-methylcyclohexanone
• CAS No.: 35155-49-8
• Molecular Formula: C9H16O
• Molecular Weight: 140.225
• Hs Code.: 2914299000
• DSSTox Substance ID: DTXSID50597915
• Nikkaji Number: J1.505.283J
• Wikidata: Q82493577
• Mol file: 35155-49-8.mol

Synonyms:4-Ethyl-4-methylcyclohexanone;35155-49-8;4-ethyl-4-methylcyclohexan-1-one;4-ethyl-4-methyl cyclohexanone;4-ethyl-4-methyl-cyclohexanone;SCHEMBL7750061;DTXSID50597915;MABKONZEVCZGAJ-UHFFFAOYSA-N;Cyclohexanone, 4-ethyl-4-methyl-;AKOS016844721;DB-316578;CS-0307943;EN300-101950;J-515288;Z1255445103

Chemical Property of 4-Ethyl-4-methylcyclohexanone

Chemical Property:

• PSA: 17.07000
• LogP: 2.54580
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 140.120115130
• Heavy Atom Count: 10
• Complexity: 128

Purity/Quality:

≥95% ^*data from raw suppliers

4-Ethyl-4-methyl-cyclohexanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1(CCC(=O)CC1)C

Technology Process of 4-Ethyl-4-methylcyclohexanone

There total 22 articles about 4-Ethyl-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: 100.0%

8-ethyl-8-methyl-1,4-dioxaspiro[4.5]decane (1557246-87-3) → 4-ethyl-4-methylcyclohexan-1-one (35155-49-8)

Guidance literature:

With water; acetic acid; at 66 ℃; for 3h;

Reference yield:

4-ethyl-4-methyl-2-cyclohexene-1-one (17429-32-2,24432-30-2) → 4-ethyl-4-methylcyclohexan-1-one (35155-49-8)

Guidance literature:

With hydrogen; 5percent Pd/C; In ethyl acetate;

DOI:10.1021/jo001292p

Reference yield:

C9H18O → 4-ethyl-4-methylcyclohexan-1-one (35155-49-8)

Guidance literature:

With Dess-Martin periodane; In dichloromethane; water; at 15 ℃; for 0.5h;

upstream raw materials:

5-ethyl-5-methyl-2-oxo-cyclohexanecarboxylic acid ethyl ester

4-ethyl-4-methyl-heptanedioic acid

4-methyl-4-vinylcyclohexan-1-one

4-ethyl-4-methyl-2-cyclohexene-1-one

Downstream raw materials:

4-ethyl-2,6-dibromo-4-methyl-cyclohexanone

C₁₁H₂₀O₂

C₁₁H₁₈O₂

C₁₀H₁₆O

Refernces

• 1、 -. "OXYSTEROLS AND METHODS OF USE THEREOF". . . Retrieved 2018/05/16.
• 2、 -. "PYRAZOLE CARBOXAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE". . . Retrieved 2014/03/21.