2-Cyclohexyl-1,3-dimethylbenzene

Base Information

• Chemical Name: 2-Cyclohexyl-1,3-dimethylbenzene
• CAS No.: 4501-50-2
• Molecular Formula: C₁₄H₂₀
• Molecular Weight: 188.313
• Hs Code.: 2902909090
• DSSTox Substance ID: DTXSID30497782
• Nikkaji Number: J914.442K
• Wikidata: Q82347532
• Mol file: 4501-50-2.mol

Synonyms:2-CYCLOHEXYL-1,3-DIMETHYLBENZENE;4501-50-2;methylcyclohexyltoluene;DTXSID30497782;AKOS006291587

Chemical Property of 2-Cyclohexyl-1,3-dimethylbenzene

Chemical Property:

• Vapor Pressure: 0.00444mmHg at 25°C
• Refractive Index: 1.519
• Boiling Point: 286.9°C at 760 mmHg
• Flash Point: 128.9°C
• PSA: 0.00000
• Density: 0.926g/cm³
• LogP: 4.35110
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 188.156500638
• Heavy Atom Count: 14
• Complexity: 157

Purity/Quality:

99%min ^*data from raw suppliers

2-CYCLOHEXYL-1,3-DIMETHYL-BENZENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)C)C2CCCCC2

Technology Process of 2-Cyclohexyl-1,3-dimethylbenzene

There total 1 articles about 2-Cyclohexyl-1,3-dimethylbenzene 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:

m-xylene (108-38-3,104809-90-7) + cyclohexanol (108-93-0) → 1,3-dimethyl-4-cyclohexylbenzene (4501-51-3) + 1,3-dimethyl-5-cyclohexylbenzene (32406-09-0) + 1,3-dimethyl-2-cyclohexylbenzene (4501-50-2)

Guidance literature:

With sulfuric acid; at 5 - 8 ℃; for 3h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

upstream raw materials:

m-xylene

cyclohexanol

Refernces