1-Ethyl-4-methylcyclohexane

Base Information

• Chemical Name: 1-Ethyl-4-methylcyclohexane
• CAS No.: 3728-56-1
• Molecular Formula: C9H18
• Molecular Weight: 126.242
• Hs Code.: 2902199090
• European Community (EC) Number: 679-945-1
• DSSTox Substance ID: DTXSID00190733,DTXSID001025635,DTXSID201015854
• Nikkaji Number: J382.997I,J113.374H,J100.555C
• Metabolomics Workbench ID: 49778,49779
• Mol file: 3728-56-1.mol

Synonyms:1-Ethyl-4-methylcyclohexane;3728-56-1;cis-1-Ethyl-4-Methylcyclohexane;trans-1-Ethyl-4-Methylcyclohexane;4926-78-7;6236-88-0;Cyclohexane, 1-ethyl-4-methyl-, cis-;Cyclohexane, 1-ethyl-4-methyl-, trans-;cis-1-ethyl-4-methycyclohexane;Cyclohexane, 1-ethyl-4-methyl-;trans-1-ethyl-4-methycyclohexane;1-Ethyl-4-methylcyclohexane cis-;1-Ethyl-4-methylcyclohexane trans-;1-ethyl-4-methyl cyclohexane;1-ethyl-4-methyl-cyclohexane;c-1-Ethyl-4-methylcyclohexane;1-Methyl-cis-4-ethylcyclohexane;cis-1-Methyl-4-Ethylcyclohexane;DTXSID00190733;Cis-1-ethyl-4-methyl cyclohexane;1-Methyl-trans-4-ethylcyclohexane;DTXSID001025635;DTXSID201015854;trans-1-Methyl-4-Ethylcyclohexane;1-ethyl-4-methyl(cis)-cyclohexane;Trans-1-ethyl-4-methyl cyclohexane;trans-1-ethyl-4-methyl-Cyclohexane;1alpha-Ethyl-4beta-methylcyclohexane;1-ethyl-4-methyl(trans)-cyclohexane;1-Ethyl-4-methylcyclohexane, (E)-;1-Ethyl-4-methylcyclohexane, (Z)-;1-Ethyl-4-methylcyclohexane, trans-;LMFA11000649;LMFA11000650;MFCD00045511;1alpha-Ethyl-4alpha-methylcyclohexane;(1r,4r)-1-ethyl-4-methylcyclohexane;(1s,4s)-1-ethyl-4-methylcyclohexane;AKOS006274115;AKOS006274116;CS-0451769;E0424;FT-0634992;FT-0694351;FT-0694352;T72381

Chemical Property of 1-Ethyl-4-methylcyclohexane

Chemical Property:

• Vapor Pressure: 4.81mmHg at 25°C
• Refractive Index: 1.4310-1.4330
• Boiling Point: 150.8°Cat760mmHg
• Flash Point: 31.9°C
• PSA: 0.00000
• Density: 0.769g/cm³
• LogP: 3.22270
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 126.140850574
• Heavy Atom Count: 9
• Complexity: 68.1

Purity/Quality:

97% ^*data from raw suppliers

1-Ethyl-4-methylcyclohexane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Chemical Classes: Solvents -> Aliphatics, Saturated (
• Canonical SMILES: CCC1CCC(CC1)C

Technology Process of 1-Ethyl-4-methylcyclohexane

There total 13 articles about 1-Ethyl-4-methylcyclohexane 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: 93.0%

para-methylacetophenone (122-00-9) → 1-ethyl-4-methyl-cyclohexane (3728-56-1)

Guidance literature:

With rhodium(III) chloride; hydrogen; In 2,2,2-trifluoroethanol; at 100 ℃; for 10h; under 37503.8 Torr; chemoselective reaction;

DOI:10.1039/d1cy01504d

Reference yield: 71.0%

4-methylethylbenzene (622-96-8) → 1-ethyl-4-methyl-cyclohexane (3728-56-1) + para-xylene (106-42-3) + toluene (108-88-3,15644-74-3,16713-13-6)

Guidance literature:

With Ru/CeO₂; hydrogen; at 250 ℃; regioselective reaction; Catalytic behavior; Flow reactor;

Reference yield:

Menthane (99-82-1,1678-82-6,6069-98-3,129939-70-4,129939-71-5) → 1-ethyl-4-methyl-cyclohexane (3728-56-1) + 1,4 dimethylcyclohexane (589-90-2)

Guidance literature:

With nickel kieselguhr; hydrogen; at 295 ℃; under 10297.1 Torr; substance of uncertain configuration;

upstream raw materials:

Menthane

2-methylquinoline

4-methylisopropylbenzene

1-ethyl-4-methyl-cyclohexene

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