1-Ethyl-3,5-dimethylcyclohexane

Base Information

• Chemical Name: 1-Ethyl-3,5-dimethylcyclohexane
• CAS No.: 7045-68-3
• Molecular Formula: C10H20
• Molecular Weight: 140.269
• DSSTox Substance ID: DTXSID10524424
• Nikkaji Number: J2.004.731C
• Mol file: 7045-68-3.mol

Synonyms:1-Ethyl-3,5-dimethylcyclohexane;Cyclohexane, 1-ethyl-3,5-dimethyl-;7045-68-3;DTXSID10524424

Chemical Property of 1-Ethyl-3,5-dimethylcyclohexane

Chemical Property:

• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 140.156500638
• Heavy Atom Count: 10
• Complexity: 86.2

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1CC(CC(C1)C)C

Technology Process of 1-Ethyl-3,5-dimethylcyclohexane

There total 5 articles about 1-Ethyl-3,5-dimethylcyclohexane 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:

hydrogenchloride (7647-01-0,15364-23-5) + aluminium trichloride (7446-70-0) + 3,4-dimethylhexane (583-48-2) + cyclohexane (110-82-7,25012-93-5) → Isobutane (75-28-5,40921-86-6) + methyl-cyclopentane (96-37-7) + 1-ethyl-3,5-dimethylcyclohexane (7045-68-3)

Guidance literature:

at 78 ℃;

DOI:10.1021/ja01872a029

Reference yield:

decalin (91-17-8) → 1-isopropyl-2-methylcyclohexane (16580-23-7) + 1,2-diethylcyclohexane (3642-13-5,824-43-1,13990-95-9) + 1-ethyl-3,5-dimethylcyclohexane (7045-68-3) + butylcyclohexane (1678-93-9)

Guidance literature:

With 1.2Ir/WO₃/Al₂O₃; hydrogen; at 299.84 ℃; under 37503.8 Torr; Reagent/catalyst; Catalytic behavior; Kinetics;

DOI:10.1016/j.jcat.2012.11.017

Reference yield:

decalin (91-17-8) → 1-isopropyl-2-methylcyclohexane (16580-23-7) + 1-ethyl-3,5-dimethylcyclohexane (7045-68-3) + isobutylcyclohexane (1678-98-4)

Guidance literature:

With tungusten oxide/alumina; In n-heptane; silicone carbide; at 349.84 ℃; under 37503.8 Torr;

DOI:10.1016/j.jcat.2011.10.014

upstream raw materials:

1-butylene

butene-2

methyl-cyclopentane

3,4-dimethylhexane

Downstream raw materials:

3,5-dimethylbenzoic acid

Refernces

• 1、 Moraes, Rodrigo,Thomas, Karine,Thomas, Sebastien,Van Donk, Sander,Grasso, Giacomo,Gilson, Jean-Pierre,Houalla, Marwan. "Ring opening of decalin and methylcyclohexane over alumina-based monofunctional WO3/Al2O3 and Ir/Al 2O3 catalysts". scheme or table. p. 62 - 77. Retrieved 2012/03/11.