Hexylcyclohexane

Base Information

• Chemical Name: Hexylcyclohexane
• CAS No.: 4292-75-5
• Molecular Formula: C12H24
• Molecular Weight: 168.323
• Hs Code.: 2902199090
• European Community (EC) Number: 224-294-7
• NSC Number: 95433
• UNII: BNS1DVW87A
• DSSTox Substance ID: DTXSID7063398
• Nikkaji Number: J124.857J
• Wikidata: Q63398940
• Mol file: 4292-75-5.mol

Synonyms:Hexylcyclohexane;4292-75-5;n-Hexylcyclohexane;Cyclohexane, hexyl-;1-CYCLOHEXYLHEXANE;Hexane, 1-cyclohexyl-;Cyclohexane, n-hexyl-;BNS1DVW87A;EINECS 224-294-7;NSC 95433;NSC-95433;1-Hexylcyclohexane;NSC95433;Hexane, 3-cyclohexyl-;UNII-BNS1DVW87A;DTXSID7063398;MFCD00019403;AKOS024332813;CS-0452443;FT-0627060;H0137;D90805;Q63398940

Chemical Property of Hexylcyclohexane

Chemical Property:

• Vapor Pressure: 0.132mmHg at 25°C
• Melting Point: -9.55°C
• Refractive Index: 1.4450 to 1.4490
• Boiling Point: 225.1°Cat760mmHg
• Flash Point: 80.2°C
• PSA: 0.00000
• Density: 0.801g/cm³
• LogP: 4.53710
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 168.187800766
• Heavy Atom Count: 12
• Complexity: 90.2

Purity/Quality:

98%,99%, ^*data from raw suppliers

Hexylcyclohexane >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Aliphatics, Saturated (>C11)
• Canonical SMILES: CCCCCCC1CCCCC1

Technology Process of Hexylcyclohexane

There total 23 articles about Hexylcyclohexane 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: 80.0%

hexylbenzene (1077-16-3) → n-hexylcyclohexane (4292-75-5)

Guidance literature:

With 10% rhodium on carbon; hydrogen; In isopropyl alcohol; at 100 ℃; for 0.166667h; under 37503.8 Torr; Reagent/catalyst; Temperature; Pressure; Flow reactor;

DOI:10.1002/ejoc.201500050

Reference yield: 69.0%

Cyclohexyl iodide (626-62-0) + n-hexylmagnesium bromide (3761-92-0) → n-hexylcyclohexane (4292-75-5)

Guidance literature:

With diisobutylaluminium hydride; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In tetrahydrofuran; for 16h; Heating;

DOI:10.1016/S0040-4039(00)85386-1

Reference yield: 63.0%

1-Iodohexane (638-45-9) + cyclohexylmagnesium bromide (931-50-0) → n-hexylcyclohexane (4292-75-5)

Guidance literature:

With diisobutylaluminium hydride; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In tetrahydrofuran; for 16h; Heating;

DOI:10.1016/S0040-4039(00)85386-1

upstream raw materials:

hexylbenzene

cyclohexyl pentyl ketone

caprophenone

1-Hexyl-1-methylselanyl-cyclohexane

Downstream raw materials:

propene

methane

ethane

ethene

Refernces

• 1、 Hattori, Tomohiro,Ida, Takashi,Tsubone, Aya,Sawama, Yoshinari,Monguchi, Yasunari,Sajiki, Hironao. "Facile arene hydrogenation under flow conditions catalyzed by rhodium or ruthenium on carbon". supporting information. p. 2492 - 2497. Retrieved 2015/04/22.
• 2、 Riache, Nassima,Callens, Emmanuel,Samantaray, Manoja K.,Kharbatia, Najeh M.,Atiqullah, Muhammad,Basset, Jean-Marie. "Cyclooctane metathesis catalyzed by silica-supported tungsten pentamethyl [(ΞSiO)W(Me)5]: Distribution of macrocyclic alkanes". supporting information. p. 15089 - 15094. Retrieved 2015/02/19.