Benzyl butyl ether

Base Information

• Chemical Name: Benzyl butyl ether
• CAS No.: 588-67-0
• Molecular Formula: C11H16 O
• Molecular Weight: 164.247
• Hs Code.: 2909309090
• European Community (EC) Number: 209-626-0
• NSC Number: 8476
• UNII: 8483X8ZO8N
• DSSTox Substance ID: DTXSID70207529
• Nikkaji Number: J79.679D
• Wikidata: Q27269505
• Metabolomics Workbench ID: 44810
• Mol file: 588-67-0.mol

Synonyms:Benzyl butyl ether;588-67-0;(Butoxymethyl)benzene;Benzyl n-butyl ether;Ether, benzyl butyl;butoxymethylbenzene;Butyl benzyl ether;BENZENE, (BUTOXYMETHYL)-;n-Butyl benzyl ether;Butoxy toluene;benzylbutylether;FEMA No. 2139;Ether, benzyl n-butyl;UNII-8483X8ZO8N;8483X8ZO8N;NSC-8476;EINECS 209-626-0;AI3-00948;29225-54-5;a-Butoxytoluene;1-Benzyloxybutane;butoxymethyl-benzene;(butoxymethyl)-Benzene;Butane, phenylmethoxy-;(Butoxymethyl)benzene #;(Butoxymethyl)benzene, 9CI;SCHEMBL317686;FEMA 2139;DTXSID70207529;NSC8476;BENZYL BUTYL ETHER [FHFI];NSC 8476;MFCD00039954;AKOS006228563;B0239;CS-0363241;FT-0622813;D88615;Q27269505

Chemical Property of Benzyl butyl ether

Chemical Property:

• Vapor Pressure: 0.147mmHg at 25°C
• Refractive Index: 1.4910
• Boiling Point: 223°Cat760mmHg
• Flash Point: 83.4°C
• PSA: 9.23000
• Density: 0.922g/cm³
• LogP: 3.00330
• Water Solubility.: Insoluble in water
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 164.120115130
• Heavy Atom Count: 12
• Complexity: 95.2

Purity/Quality:

98% ^*data from raw suppliers

Benzyl Butyl Ether ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOCC1=CC=CC=C1

Technology Process of Benzyl butyl ether

There total 57 articles about Benzyl butyl 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: 97.0%

(Z)-1,4-dibenzyloxy-2-butene (68972-96-3) → benzyl 1-butyl ether (588-67-0)

Guidance literature:

With 1-Methylpyrrolidine; lithium aluminium tetrahydride; zirconocene dichloride; In 2-methyltetrahydrofuran; at 70 ℃; for 20h; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.orglett.9b02572

Reference yield: 95.0%

benzyl alcohol (100-51-6,185532-71-2) + butan-1-ol (71-36-3) → benzyl 1-butyl ether (588-67-0)

Guidance literature:

With bismuth(III) bromide; In tetrachloromethane; at 25 ℃; for 90h;

DOI:10.1016/S0040-4039(00)00304-X

Reference yield: 91.0%

benzyl alcohol (100-51-6,185532-71-2) + butan-1-ol (71-36-3) → dibenzyl ether (103-50-4) + benzyl 1-butyl ether (588-67-0)

Guidance literature:

With copper(ll) bromide; at 175 ℃; for 10h; Temperature; Time; Reagent/catalyst; Inert atmosphere; Sealed tube;

DOI:10.1134/S1070428018080055

upstream raw materials:

benzyl chloride

sodium butanolate

dibenzyl ether

toluene-4-sulfonic acid

Downstream raw materials:

N-butylacetamide

benzaldehyde

benzyl alcohol

2-(2-(benzyloxy)ethyl)oxirane

Refernces

• 1、 Agliullin, M. R.,Bayguzina, A. R.,Gallyamova, L. I.,Khusnutdinov, R. I.. "A Catalyst System Based on Copper(II) Bromide Supported on Zeolite HY with a Hierarchical Pore Structure in Benzyl Butyl Ether Synthesis". . p. 937 - 941. Retrieved 2020/09/02.
• 2、 -. "Method for hydrogenolysis of halides". Paragraph 0232; 0245-0247. . Retrieved 2021/01/11.