CIS-1,3-DIMETHYLCYCLOHEXANE

Base Information

• Chemical Name: CIS-1,3-DIMETHYLCYCLOHEXANE
• CAS No.: 638-04-0
• Molecular Formula: C8H16
• Molecular Weight: 112.215
• Hs Code.: 2902199090
• European Community (EC) Number: 211-316-5
• NSC Number: 74159
• UNII: 9SGO12QV70
• DSSTox Substance ID: DTXSID30858738
• Nikkaji Number: J43.407H
• Wikidata: Q81977813
• Mol file: 638-04-0.mol

Synonyms:Cyclohexane,1,3-dimethyl-, cis- (8CI);NSC 74159;cis-1,3-Dimethylcyclohexane;

Chemical Property of CIS-1,3-DIMETHYLCYCLOHEXANE

Chemical Property:

• Vapor Pressure: 40.5 mm Hg ( 37.7 °C)
• Melting Point: -76 °C
• Refractive Index: n20/D 1.423(lit.)
• Boiling Point: 120.1 °C at 760 mmHg
• Flash Point: 9.4 °C
• PSA: 0.00000
• Density: 0.784 g/mL at 25 °C(lit.)
• LogP: 2.83260
• Storage Temp.: Flammables area
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 112.125200510
• Heavy Atom Count: 8
• Complexity: 58.4

Purity/Quality:

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

cis-1,3-Dimethylcyclohexane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F
• Hazard Codes: F
• Statements: 11
• Safety Statements: 16-29-33

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Aliphatics, Saturated (
• Canonical SMILES: CC1CCCC(C1)C
• Isomeric SMILES: C[C@@H]1CCC[C@@H](C1)C
• Uses: cis-1,3-Dimethylcyclohexane is one of the variation in volatile organic compounds in breath of normal humans.

Technology Process of CIS-1,3-DIMETHYLCYCLOHEXANE

There total 115 articles about CIS-1,3-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: 43.0%

Cyclooctan (292-64-8) → ethyl-cyclohexane (1678-91-7) + cis-1,3-dimethylcyclohexane (638-04-0) + trans-1,4-dimethylcyclohexane (2207-04-7) + 1,2-trans-dimethylcyclohexane (6876-23-9)

Guidance literature:

With triisobutylaluminum; palladium dichloride; In tetrachloromethane; at 8 - 50 ℃; for 2h; Further byproducts given;

DOI:10.1023/A:1014047915995

Reference yield: 2.0%

Cyclooctan (292-64-8) → cis-1,3-dimethylcyclohexane (638-04-0) + trans-1,4-dimethylcyclohexane (2207-04-7) + 1,2-trans-dimethylcyclohexane (6876-23-9) + trans-1,3-dimethylcyclohexane (2207-03-6)

Guidance literature:

With triisobutylaluminum; palladium dichloride; In tetrachloromethane; at 8 - 50 ℃; for 2h; Further byproducts given;

DOI:10.1023/A:1014047915995

Reference yield:

toluene (108-88-3,15644-74-3,16713-13-6) → biphenyl (92-52-4,1594-86-1) + methyl-cyclopentane (96-37-7) + cyclohexane (110-82-7,25012-93-5) + ethyl-cyclohexane (1678-91-7) + 1,3-dimethylcyclohexane (638-04-0,2207-03-6,69685-67-2,69685-68-3,129939-72-6,129939-73-7,591-21-9) + 1,3,5-trimethylcyclohexane (1839-63-0) + para-xylene (106-42-3) + ethylbenzene (100-41-4,27536-89-6) + methyl cyclohexane (82166-21-0) + m-xylene (108-38-3,104809-90-7) + 1,3,5-trimethyl-benzene (108-67-8) + isoprene (78-79-5,9003-31-0) + 1,4 dimethylcyclohexane (589-90-2) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1)

Guidance literature:

With Ni-doped silica; water; hydrogen; at 119.84 ℃; Reagent/catalyst; Catalytic behavior;

DOI:10.1016/j.apcata.2019.117374

upstream raw materials:

3,5-dimethyl-2-cyclohexen-1-one

ethene

cyclohexane

2-ethyl-1-methylcyclopentane

Downstream raw materials:

1,2-di-m-tolylethane

perfluoro-1,3-dimethylcyclohexane

optically inactive 1.3-dimethyl-cyclohexanediol-(1.3)

1,3-dimethyl-1-nitro-cyclohexane

Refernces

• 1、 Bhattacharya, Saurav,Bons, Anton-Jan,Cadot, Emmanuel,Espenship, Michael Forrester,Haouas, Mohamed,Jaensch, Helge,Kortz, Ulrich,Laskin, Julia,Ma, Xiang,Mougharbel, Ali S.,Stuerzer, Tobias,Su, Pei,Taffa, Dereje H.,Wark, Michael. "Discovery of a Neutral 40-PdII-Oxo Molecular Disk, [Pd40O24(OH)16{(CH3)2AsO2}16]: Synthesis, Structural Characterization, and Catalytic Studies". . p. 17339 - 17347. Retrieved 2021/11/17.
• 2、 Atsumi, Ryosuke,Kobayashi, Keisuke,Xieli, Cui,Nanba, Tetsuya,Matsumoto, Hideyuki,Matsuda, Keigo,Tsujimura, Taku. "Effects of steam on toluene hydrogenation over a Ni catalyst". . . Retrieved 2019/12/23.