1,2-Dimethylcyclohexane

Base Information

• Chemical Name: 1,2-Dimethylcyclohexane
• CAS No.: 583-57-3
• Molecular Formula: C8H16
• Molecular Weight: 112.215
• Hs Code.: 29021900
• European Community (EC) Number: 209-509-4
• NSC Number: 43769
• DSSTox Substance ID: DTXSID50858730
• Nikkaji Number: J72.704K
• Wikidata: Q24702624
• Mol file: 583-57-3.mol

Synonyms:1,2-dimethylcyclohexane;1,2-dimethylcyclohexane, (cis)-isomer;1,2-dimethylcyclohexane, (trans)-isomer

Chemical Property of 1,2-Dimethylcyclohexane

Chemical Property:

• Appearance/Colour: clear liquid
• Vapor Pressure: 14.5mmHg at 25°C
• Melting Point: -71.62°C (estimate)
• Refractive Index: n20/D 1.434
• Boiling Point: 127-130 °C(lit.)
• Flash Point: 60 °F
• PSA: 0.00000
• Density: 0.793 g/mL at 20 °C(lit.)
• LogP: 2.83260
• Storage Temp.: Flammables area
• Water Solubility.: 6.795mg/L(30 oC)
• 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: 56.4

Purity/Quality:

99.0% ^*data from raw suppliers

1,2-Dimethylcyclohexane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): FXn
• Hazard Codes: F,Xn
• Statements: 11-65
• Safety Statements: 9-16-33-62

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Aliphatics, Saturated (
• Canonical SMILES: CC1CCCCC1C

Technology Process of 1,2-Dimethylcyclohexane

There total 22 articles about 1,2-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: 100.0%

o-xylene (95-47-6) → 1,2-Dimethyl-cyclohexane (583-57-3)

Guidance literature:

With hydrogen; [(norbornadiene)rhodium(I)chloride]2; phosphinated polydiacetylene; In n-heptane; at 30 ℃; for 1.8h; under 60800 Torr;

DOI:10.1246/cl.1982.603

Reference yield: 79.0%

1,2-dimethylcyclohexene (1674-10-8) → 1,2-Dimethyl-cyclohexane (583-57-3)

Guidance literature:

With hydrogen; 1,5-hexadienerhodium(I)-chloride dimer; In various solvent(s); for 6h; Ambient temperature; pH=7.6;

Reference yield: 71.0%

2-methyloct-7-enenitrile → 1,2-Dimethyl-cyclohexane (583-57-3) + methylcycloheptane (4126-78-7)

Guidance literature:

With potassium; tert-butyl alcohol; In N,N,N,N,N,N-hexamethylphosphoric triamide; diethyl ether; at 0 ℃; for 3h;

DOI:10.1021/jo800640j

upstream raw materials:

o-xylene

1-chloro-1,2-dimethyl-cyclohexane

INDANE

1,2-dimethylcyclohexanol

Downstream raw materials:

propylcyclohexane

2,7-octanedione

1,2-dimethylcyclohexanol

acetic acid

Refernces

• 1、 Qian, Wei,Lin, Lina,Qiao, Yunxiang,Zhao,Xu, Zichen,Gong, Honghui,Li,Chen,Huang, Rong,Hou, Zhenshan. "Ru subnanoparticles on N-doped carbon layer coated SBA-15 as efficient Catalysts for arene hydrogenation". . . Retrieved 2019/08/12.
• 2、 Ji, Pengfei,Song, Yang,Drake, Tasha,Veroneau, Samuel S.,Lin, Zekai,Pan, Xiandao,Lin, Wenbin. "Titanium(III)-Oxo Clusters in a Metal-Organic Framework Support Single-Site Co(II)-Hydride Catalysts for Arene Hydrogenation". . p. 433 - 440. Retrieved 2018/01/17.