Benzyl ethyl ether

Base Information

• Chemical Name: Benzyl ethyl ether
• CAS No.: 539-30-0
• Molecular Formula: C9H12O
• Molecular Weight: 136.194
• Hs Code.: 2909309090
• European Community (EC) Number: 208-714-6
• NSC Number: 8066
• UNII: 5Y0D90XR7K
• DSSTox Substance ID: DTXSID4060230
• Nikkaji Number: J43.434E
• Wikidata: Q27263024
• Metabolomics Workbench ID: 44811
• Mol file: 539-30-0.mol

Synonyms:(Ethoxymethyl)benzene;Benzyl ethyl ether;539-30-0;Ethyl benzyl ether;Ethoxymethylbenzene;Benzyl ethyl oxide;Benzene, (ethoxymethyl)-;Ether, benzyl ethyl;FEMA No. 2144;UNII-5Y0D90XR7K;5Y0D90XR7K;NSC 8066;NSC-8066;EINECS 208-714-6;AI3-02270;ethylbenzyl ether;ethoxymethyl-benzene;MFCD00039903;(ethoxymethyl)-Benzene;(Ethoxymethyl)benzene #;(Ethoxymethyl)benzene, 9CI;SCHEMBL16478;Ether, benzyl ethyl (8CI);BENZYL ETHYL ETHER [MI];DTXSID4060230;FEMA 2144;NSC8066;BENZYL ETHYL ETHER [FHFI];CHEBI:192179;AMY22000;AKOS005267098;CS-W018329;HY-W017613;AS-48266;FT-0622819;F30115;Q27263024

Chemical Property of Benzyl ethyl ether

Chemical Property:

• Appearance/Colour: colourless oily liquid with a powerful, fruity, rather sharp aroma
• Vapor Pressure: 0.976mmHg at 25°C
• Melting Point: 2.5°C
• Refractive Index: 1.493
• Boiling Point: 185 °C at 760 mmHg
• Flash Point: 52.9 °C
• PSA: 9.23000
• Density: 0.938 g/cm³
• LogP: 2.22310
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 136.088815002
• Heavy Atom Count: 10
• Complexity: 74.8

Purity/Quality:

99% ^*data from raw suppliers

(Ethoxymethyl)benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOCC1=CC=CC=C1
• Uses: Organic synthesis, flavoring.

Technology Process of Benzyl ethyl ether

There total 115 articles about Benzyl ethyl 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: 52.0%

(diethoxymethyl)benzene (774-48-1) → 1-(ethoxymethyl)benzene (539-30-0) + benzaldehyde (100-52-7) + 3-phenyl-propenal (104-55-2)

Guidance literature:

With boron trifluoride diethyl etherate; In 1,2-dichloro-ethane; 0 deg C to RT;

Reference yield: 48.0%

ethanol (64-17-5) + benzyltrimethylsilane (770-09-2) → ethyl trimethylsilyl ether (1825-62-3) + 1-(ethoxymethyl)benzene (539-30-0)

Guidance literature:

With copper(II) bis(tetrafluoroborate); In acetonitrile; for 10h; Irradiation;

DOI:10.1246/cl.1988.229

Reference yield: 41.0%

benzyl cellosolve (61911-33-9) → 1-(ethoxymethyl)benzene (539-30-0) + benzyl alcohol (100-51-6,185532-71-2)

Guidance literature:

With chloro-trimethyl-silane; zinc(II) tetrahydroborate; In diethyl ether; dichloromethane; at 25 ℃; for 20h;

DOI:10.1021/jo00388a049

upstream raw materials:

ethanol

N-benzyl-N-nitrosobenzamide

dibenzyl ether

N-benzyl-N-nitrosoacetamide

Downstream raw materials:

benzaldehyde

diethyl ether

ethylbenzene

4-benzyl pyridine