1-Ethyl-3-methylcyclohexane

Base Information

• Chemical Name: 1-Ethyl-3-methylcyclohexane
• CAS No.: 3728-55-0
• Molecular Formula: C9H18
• Molecular Weight: 126.242
• Hs Code.: 2902199090
• European Community (EC) Number: 679-948-8
• DSSTox Substance ID: DTXSID70864893
• Nikkaji Number: J382.996K
• Mol file: 3728-55-0.mol

Synonyms:1-Ethyl-3-methylcyclohexane;3728-55-0;Cyclohexane, 1-ethyl-3-methyl-;1-Ethyl-3-methylcyclohexane (c,t);1-Ethyl-3-methylcyclohexane (cis,trans)-;cis-1-Ethyl-3-methyl-cyclohexane;1-methyl-3-ethylcyclohexane;1-Ethyl-3-methylcyclohexane #;DTXSID70864893;1-ethyl-trans-3-methylcyclohexane;UDDVMPHNQKRNNS-UHFFFAOYSA-N;MFCD00045510;CS-0451768;E0423;FT-0694350;FT-0725515;D90512

Chemical Property of 1-Ethyl-3-methylcyclohexane

Chemical Property:

• Vapor Pressure: 4.81mmHg at 25°C
• Refractive Index: 1.4320-1.4330
• 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: 76.1

Purity/Quality:

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

1-Ethyl-3-methylcyclohexane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1CCCC(C1)C

Technology Process of 1-Ethyl-3-methylcyclohexane

There total 23 articles about 1-Ethyl-3-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: 39.0%

diallyl(ethyl)amine (3454-10-2) → 1-ethyl-3-methylcyclohexane (3728-55-0) + cis,cis-ethylbis(1-propenyl)amine (57951-38-9) + cis,trans-ethylbis(1-propenyl)amine (57934-30-2)

Guidance literature:

With potassium hydroxide; In dimethyl sulfoxide; at 90 ℃; for 6h;

DOI:10.1023/B:RUJO.0000003177.74897.88

Reference yield:

1-(furan-2-yl)-4-hydroxypent-1-en-3-one → octane (111-65-9) + nonane (111-84-2) + 2-methyloctane (3221-61-2) + 1-ethyl-3-methylcyclohexane (3728-55-0)

Guidance literature:

With 5%-palladium/activated carbon; hydrogen; In water; at 163.84 ℃; for 8h; under 22502.3 Torr; High pressure;

DOI:10.1039/c5gc02414e

Reference yield:

4-allylguaiacol (97-53-0) → 1-ethyl-3-methylcyclohexane (3728-55-0) + propylcyclohexane (1678-92-8) + 1-methyl-2-propyl-cyclohexane (4291-79-6,4926-71-0,42806-77-9,130365-42-3,130365-43-4,130365-46-7,130365-47-8,130365-50-3,130365-51-4) + 1-ethyl-2,4-dimethylcyclohexane (61142-69-6)

Guidance literature:

With hydrogen; In hexane; at 300 ℃; for 1h; under 30003 Torr; Reagent/catalyst;

DOI:10.1039/c8gc01960f

upstream raw materials:

triethylsilane

1-chloro-1-methylcyclohexane

diallyl(ethyl)amine

N-(1-methylethyl)-N-2-propenyl-2-propen-1-amine

Refernces

• 1、 Zhu, Chenjie,Shen, Tao,Liu, Dong,Wu, Jinglan,Chen, Yong,Wang, Linfeng,Guo, Kai,Ying, Hanjie,Ouyang, Pingkai. "Production of liquid hydrocarbon fuels with acetoin and platform molecules derived from lignocellulose". supporting information. p. 2165 - 2174. Retrieved 2016/04/19.
• 2、 Musorin. "Unexpected transformations of alkyldiallylamines in the KOH-DMSO system". . p. 1576 - 1577. Retrieved 2007/10/03.