Isopentyl phenethyl ether

Base Information

• Chemical Name: Isopentyl phenethyl ether
• CAS No.: 56011-02-0
• Deprecated CAS: 54173-86-3
• Molecular Formula: C13H20O
• Molecular Weight: 192.301
• European Community (EC) Number: 259-943-3
• UNII: X768037VTG
• DSSTox Substance ID: DTXSID3052220
• Nikkaji Number: J182.742A
• Wikidata: Q27293626
• NCI Thesaurus Code: C79614
• Metabolomics Workbench ID: 49452
• Mol file: 56011-02-0.mol

Synonyms:Isopentyl phenethyl ether;56011-02-0;Anther;2-(3-methylbutoxy)ethylbenzene;Isoamyl phenylethyl ether;green ether;Isoamyl phenethyl ether;2-Phenylethyl isopentyl ether;Phenylethyl isoamyl ether;phenethyl isoamyl ether;(2-(3-Methylbutoxy)ethyl)benzene;Benzene, (2-(3-methylbutoxy)ethyl)-;Isopentylphenethylether;Isopentyl phenethylether;EINECS 259-943-3;BRN 2250579;[2-(3-METHYLBUTOXY)ETHYL]BENZENE;UNII-X768037VTG;X768037VTG;Benzene, [2-(3-methylbutoxy)ethyl]-;3-methylbutyl ether;Phenethylisopentyl ether;ANTHER (ETHER);2-phenylethyl isoamyl ether;SCHEMBL112613;DTXSID3052220;FEMA NO. 4635;BHQBQWOZHYUVTL-UHFFFAOYSA-;3-methylbutyl 2-phenylethyl ether;Benceno, [2-(3-metilbutoxi)etil]-;AKOS006274162;Phenyl Ethyl Iso Amyl Ether (ANTHER);[2-(3-Methylbutoxy)ethyl]benzene, 9CI;LS-30873;Q27293626

Chemical Property of Isopentyl phenethyl ether

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 0.0369mmHg at 25°C
• Refractive Index: 1.485
• Boiling Point: 249.1 ºC at 760 mmHg
• Flash Point: 107.3 ºC
• PSA: 9.23000
• Density: 0.909 g/cm³
• LogP: 3.29180
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 192.151415257
• Heavy Atom Count: 14
• Complexity: 125

Purity/Quality:

99.9% ^*data from raw suppliers

Isopentylphenethylether,98-100%(GC),FEMA4635 98-100%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCOCCC1=CC=CC=C1

Technology Process of Isopentyl phenethyl ether

There total 1 articles about Isopentyl phenethyl ether 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: 87.0%

i-Amyl alcohol (123-51-3) + ethene (74-85-1) + trimethylphenylsilane (768-32-1) → (2-(isopentyloxy)ethyl)benzene (56011-02-0)

Guidance literature:

With (triphenylphosphine)gold(I) chloride; 1-(trifluoromethanesulfonyloxy)-1,2-benziodoxol-3(1H)-one; In acetonitrile; at 50 ℃; for 18h; under 750.075 Torr; Sealed tube;

DOI:10.1021/jacs.7b06668

upstream raw materials:

i-Amyl alcohol

ethene

trimethylphenylsilane

Refernces