1-Cyclohexyl-4-ethylbenzene

Base Information

• Chemical Name: 1-Cyclohexyl-4-ethylbenzene
• CAS No.: 4501-39-7
• Molecular Formula: C14H20
• Molecular Weight: 188.313
• Hs Code.: 2902909090
• European Community (EC) Number: 610-220-4
• DSSTox Substance ID: DTXSID00497779
• Nikkaji Number: J1.109.397C
• Wikidata: Q82347527
• Mol file: 4501-39-7.mol

Synonyms:1-Cyclohexyl-4-ethylbenzene;4501-39-7;MFCD29036695;Benzene, 1-cyclohexyl-4-ethyl-;p-ethylcyclohexylbenzene;Cyclohexyl-4-ethylbenzene;AMY5930;DTXSID00497779;AKOS023094987;CS-W004339;DS-19688;SY237162;H11157

Chemical Property of 1-Cyclohexyl-4-ethylbenzene

Chemical Property:

• Vapor Pressure: 0.00524mmHg at 25°C
• Boiling Point: 284oC at 760 mmHg
• Flash Point: 120.9oC
• PSA: 0.00000
• Density: 0.925g/cm3
• LogP: 4.29670
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 188.156500638
• Heavy Atom Count: 14
• Complexity: 147

Purity/Quality:

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

1-Cyclohexyl-4-ethylbenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=C(C=C1)C2CCCCC2

Technology Process of 1-Cyclohexyl-4-ethylbenzene

There total 6 articles about 1-Cyclohexyl-4-ethylbenzene 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:

biphenyl-4-acetaldehyde (92-91-1) → 1-cyclohexyl-4-ethylbenzene (4501-39-7)

Guidance literature:

With nickel kieselguhr; methyl cyclohexane; at 125 - 150 ℃; under 102971 Torr; Hydrogenation;

DOI:10.1021/ja01211a008

Reference yield:

4'-(2-fluorophenyl)acetophenone (345-55-1) → 1-cyclohexyl-4-ethylbenzene (4501-39-7)

Guidance literature:

With nickel kieselguhr; methyl cyclohexane; at 125 - 150 ℃; under 102971 Torr; Hydrogenation;

DOI:10.1021/ja01211a008

Reference yield:

2-fluorobiphenyl (321-60-8) → 1-cyclohexyl-4-ethylbenzene (4501-39-7)

Guidance literature:

Multi-step reaction with 2 steps

1: AlCl₃; carbon disulfide

2: nickel kieselguhr; methylcyclohexane / 125 - 150 °C / 102971 Torr / Hydrogenation

With carbon disulfide; aluminium trichloride; nickel kieselguhr; methyl cyclohexane;

DOI:10.1021/ja01211a008

upstream raw materials:

biphenyl-4-acetaldehyde

4'-(2-fluorophenyl)acetophenone

ethylbenzene

cyclohexene

Downstream raw materials:

terephthalic acid