Butylcyclohexane

Base Information

• Chemical Name: Butylcyclohexane
• CAS No.: 1678-93-9
• Molecular Formula: C10H20
• Molecular Weight: 140.269
• Hs Code.: 2902199090
• European Community (EC) Number: 216-837-1
• NSC Number: 8469
• DSSTox Substance ID: DTXSID0061876
• Nikkaji Number: J43.288A
• Wikidata: Q63393251
• Metabolomics Workbench ID: 5352
• ChEMBL ID: CHEMBL192820
• Mol file: 1678-93-9.mol

Synonyms:butylcyclohexane

Chemical Property of Butylcyclohexane

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 1.22mmHg at 25°C
• Melting Point: -75 C
• Boiling Point: 180.4°Cat760mmHg
• Flash Point: 41.1°C
• PSA: 0.00000
• Density: 0.792g/cm³
• LogP: 3.75690
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 140.156500638
• Heavy Atom Count: 10
• Complexity: 70.1

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s): R10:Flammable.
• Hazard Codes: R10:Flammable.
• Statements: R10:Flammable.
• Safety Statements: S16:Keep away from sources of ignition - No smoking.

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Aliphatics, Saturated (
• Canonical SMILES: CCCCC1CCCCC1

Technology Process of Butylcyclohexane

There total 71 articles about Butylcyclohexane 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: 61.0%

Cyclohexyl iodide (626-62-0) → octane (111-65-9) + cyclohexane (110-82-7,25012-93-5) + butylcyclohexane (1678-93-9) + cyclohexene (110-83-8)

Guidance literature:

With chloro-trimethyl-silane; In tetrahydrofuran; at -78 ℃; for 0.1h; Further Variations:; Reaction time; Without reagent; Product distribution;

Reference yield: 53.0%

Cyclohexyl iodide (626-62-0) → cyclohexylcyclohexane (92-51-3) + cyclohexane (110-82-7,25012-93-5) + butylcyclohexane (1678-93-9) + cyclohexene (110-83-8)

Guidance literature:

In tetrahydrofuran; at -78 ℃; for 1h; Further byproducts given;

Reference yield: 15.0%

Cyclohexyl iodide (626-62-0) → octane (111-65-9) + cyclohexylcyclohexane (92-51-3) + cyclohexane (110-82-7,25012-93-5) + butylcyclohexane (1678-93-9)

Guidance literature:

With chloro-trimethyl-silane; In tetrahydrofuran; at -78 ℃; for 0.1h; Further byproducts given;

upstream raw materials:

4-(4-methoxyphenyl)-2-butanone

1-butylbenzene

1-cyclohexyl-but-2-en-1-ol

butyraldehyde

Downstream raw materials:

1-butylbenzene

octane, 4-ethyl-

3-ethyloctane

4-methylnonane

Refernces

• 1、 Bordet, Alexis,Emondts, Meike,Leitner, Walter,Moos, Gilles. "Selective Hydrogenation and Hydrodeoxygenation of Aromatic Ketones to Cyclohexane Derivatives Using a Rh&at;SILP Catalyst". supporting information. p. 11977 - 11983. Retrieved 2020/06/02.
• 2、 Offner-Marko, Lisa,Bordet, Alexis,Moos, Gilles,Tricard, Simon,Rengshausen, Simon,Chaudret, Bruno,Luska, Kylie L.,Leitner, Walter. "Bimetallic Nanoparticles in Supported Ionic Liquid Phases as Multifunctional Catalysts for the Selective Hydrodeoxygenation of Aromatic Substrates". supporting information. p. 12721 - 12726. Retrieved 2018/09/12.