Benzene, [2-(cyclohexyloxy)ethyl]-

Base Information

• Chemical Name: Benzene, [2-(cyclohexyloxy)ethyl]-
• CAS No.: 80858-47-5
• Molecular Formula: C14H20 O
• Molecular Weight: 204.312
• European Community (EC) Number: 279-576-2
• DSSTox Substance ID: DTXSID4072869
• Nikkaji Number: J320.325E
• Wikidata: Q82001133
• Mol file: 80858-47-5.mol

Synonyms:80858-47-5;2-cyclohexyloxyethylbenzene;Benzene, [2-(cyclohexyloxy)ethyl]-;[2-(cyclohexyloxy)ethyl]benzene;(2-(Cyclohexyloxy)ethyl)benzene;Phenylethyl cyclohexyl ether;Phenyl ethyl cyclohexyl ether;EINECS 279-576-2;Benzene, (2-(cyclohexyloxy)ethyl)-;PHENAFLEUR;Cyclohexyl Phenethylether;cyclohexyl phenethyl ether;SCHEMBL873249;DTXSID4072869;(2 - (cyclohexyloxy)ethyl)benzene;FT-0690253

Chemical Property of Benzene, [2-(cyclohexyloxy)ethyl]-

Chemical Property:

• Vapor Pressure: 0.0038mmHg at 25°C
• Boiling Point: 289.5°C at 760 mmHg
• Flash Point: 123.9°C
• PSA: 9.23000
• Density: 0.97g/cm³
• LogP: 3.57840
• Water Solubility.: 780.2mg/L at 24℃
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 204.151415257
• Heavy Atom Count: 15
• Complexity: 155

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)OCCC2=CC=CC=C2

Technology Process of Benzene, [2-(cyclohexyloxy)ethyl]-

There total 14 articles about Benzene, [2-(cyclohexyloxy)ethyl]- 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: 91.0%

2-phenylethanol (60-12-8) + cyclohexene (110-83-8) → (2-(cyclohexyloxy)ethyl)benzene (80858-47-5)

Guidance literature:

With ruthenium trichloride; at 160 ℃; for 6h;

DOI:10.1016/0022-328X(94)05150-A

Reference yield: 79.0%

2-phenylethanol (60-12-8) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → (2-(cyclohexyloxy)ethyl)benzene (80858-47-5)

Guidance literature:

With dimethylmonochlorosilane; In acetonitrile; at 25 ℃; for 12h; Reagent/catalyst; Solvent; Inert atmosphere;

DOI:10.1055/s-0036-1590838

Reference yield: 59.0%

C17H28O2Si → (2-(cyclohexyloxy)ethyl)benzene (80858-47-5)

Guidance literature:

C₁₇H₂₈O₂Si; With triethylsilane; In dichloromethane; at -78 ℃; for 0.166667h;

With trimethylsilyl trifluoromethanesulfonate; In dichloromethane; at -78 ℃; for 1.25h;

DOI:10.1016/j.tetlet.2017.06.043

upstream raw materials:

2-phenylethanol

cyclohexene

formic acid phenethyl ester

2-phenoxy-1-phenylethanol