2-Cyclohexylcyclohexanone

Base Information

• Chemical Name: 2-Cyclohexylcyclohexanone
• CAS No.: 90-42-6
• Deprecated CAS: 112684-84-1
• Molecular Formula: C12H20 O
• Molecular Weight: 180.29
• Hs Code.: 2914290090
• European Community (EC) Number: 201-991-4
• NSC Number: 22249
• UNII: B3QU3533W8
• DSSTox Substance ID: DTXSID8047424
• Nikkaji Number: J41.835H
• Wikidata: Q27274324
• ChEMBL ID: CHEMBL3183461
• Mol file: 90-42-6.mol

Synonyms:bicyclohexanone

Chemical Property of 2-Cyclohexylcyclohexanone

Chemical Property:

• Vapor Pressure: 0.00996mmHg at 25°C
• Melting Point: -32°C
• Refractive Index: 1.4880-1.4900
• Boiling Point: 269 °C
• Flash Point: 121°C
• PSA: 17.07000
• Density: 0,97 g/cm3
• LogP: 3.32600
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 180.151415257
• Heavy Atom Count: 13
• Complexity: 180

Purity/Quality:

98% ^*data from raw suppliers

2-Cyclohexylcyclohexanone >97.0%(GC) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Aromatic Ketones
• Canonical SMILES: C1CCC(CC1)C2CCCCC2=O

Technology Process of 2-Cyclohexylcyclohexanone

There total 75 articles about 2-Cyclohexylcyclohexanone 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: 64.0%

cyclohexanol (108-93-0) → d,l-2-cyclohexylcyclohexanone (90-42-6) + 2-cyclohexylcyclohexanol (6531-86-8) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4)

Guidance literature:

With Mg-Al hydrotalcite supported copper; at 180 ℃; for 15h;

DOI:10.1016/j.catcom.2012.12.027

Reference yield: 32.9%

benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) + phenol (108-95-2,27073-41-2) → d,l-2-cyclohexylcyclohexanone (90-42-6) + cyclohexane (110-82-7,25012-93-5) + 1-phenyl-1-cyclohexane (827-52-1,5379-26-0) + 2-cyclohexylphenol (119-42-6)

Guidance literature:

With hydrogen; Pd and La-containing zeolite catalyst; at 150 - 170 ℃; under 11250.9 - 18751.5 Torr; Product distribution; other catalysts; hydrohenation of phenol and its ether om bifunctional zeolite catalysts;

DOI:10.1007/BF00952850

Reference yield: 4.1%

Phenetole (103-73-1) → d,l-2-cyclohexylcyclohexanone (90-42-6) + cyclohexane (110-82-7,25012-93-5) + 1-phenyl-1-cyclohexane (827-52-1,5379-26-0) + 2-cyclohexylphenetole (1889-30-1)

Guidance literature:

With hydrogen; Pd and La-containing zeolite catalyst; at 150 - 170 ℃; under 11250.9 - 18751.5 Torr; Product distribution; other catalysts; hydrohenation of phenol and its ether om bifunctional zeolite catalysts;

DOI:10.1007/BF00952850

upstream raw materials:

2-(1-cyclohexenyl)cyclohexanone

Peroxyformic acid

1-cyclohexyl-1-cyclohexene

2-cyclohexylcyclohexanol

Downstream raw materials:

C₁₅H₂₈OSi

C₁₂H₂₀O₂

(R)-(+)-2-cyclohexylcyclohexanone

7-cyclohexyl-oxepan-2-one

Refernces

• 1、 Zhang, Zhanrong,Liu, Mingyang,Song, Jinliang,Liu, Huizhen,Xie, Zhenbing,Liu, Shuaishuai,Meng, Qinglei,Zhang, Pei,Han, Buxing. "Pd nanoparticles/polyoxometalate-ionic liquid composites on SiO2 as multifunctional catalysts for efficient production of ketones from diaryl ethers". . p. 4865 - 4869. Retrieved 2018/11/21.
• 2、 Gbadamasi, Sharafadeen,Ali, Tammar Hussein,Voon, Lee Hwei,Atta, Abdulazeez Yusuf,Sudarsanam, Putla,Bhargava, Suresh K.,Abd Hamid, Sharifah Bee. "Promising Ni/Al-SBA-15 catalysts for hydrodeoxygenation of dibenzofuran into fuel grade hydrocarbons: Synergetic effect of Ni and Al-SBA-15 support". . p. 25992 - 26002. Retrieved 2016/03/25.