Benzene, (2-butoxyethyl)-

Base Information

• Chemical Name: Benzene, (2-butoxyethyl)-
• CAS No.: 5331-14-6
• Molecular Formula: C12H18O
• Molecular Weight: 178.274
• Hs Code.: 2909309090
• European Community (EC) Number: 226-226-1
• NSC Number: 2252
• UNII: ULS8QVB0DO
• DSSTox Substance ID: DTXSID5063784
• Nikkaji Number: J298.011H
• Wikidata: Q63409301
• Mol file: 5331-14-6.mol

Synonyms:2-butoxyethylbenzene;5331-14-6;Benzene, (2-butoxyethyl)-;(2-Butoxyethyl)benzene;Butyl phenethyl ether;ULS8QVB0DO;Phenylethyl n-butyl ether;NSC 2252;NSC-2252;EINECS 226-226-1;AI3-19956;CRESSANTHER;Butylphenethyl ether;UNII-ULS8QVB0DO;(2 - butoxyethyl)benzene;SCHEMBL144042;DTXSID5063784;2-PHENYLETHYL BUTYL ETHER;NSC2252;MFCD00169848;AKOS006274682;S10144;Q63409301

Chemical Property of Benzene, (2-butoxyethyl)-

Chemical Property:

• Appearance/Colour: colorless and oil liquid
• Vapor Pressure: 9.74E-08mmHg at 25°C
• Refractive Index: 1.624
• Boiling Point: 235.2 °C at 760 mmHg
• Flash Point: 97.3 °C
• PSA: 9.23000
• Density: 0.915 g/cm³
• LogP: 3.04580
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 178.135765193
• Heavy Atom Count: 13
• Complexity: 106

Purity/Quality:

99%, ^*data from raw suppliers

CRESSANTHER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOCCC1=CC=CC=C1

Technology Process of Benzene, (2-butoxyethyl)-

There total 7 articles about Benzene, (2-butoxyethyl)- 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: 80.0%

phenylacetaldehyde (122-78-1) + butyraldehyde (123-72-8) → dibutyl ether (142-96-1) + 2-phenylethyl-n-butylether (5331-14-6) + di(2-phenylethyl) ether (2396-53-4)

Guidance literature:

With triethylsilane; silver(I) bis(trifluoromethanesulfonyl)imide; In dichloromethane; at 25 ℃; for 0.5h;

DOI:10.1021/acs.orglett.2c00270

Reference yield: 71.0%

phenethyl butyrate (103-52-6) → 2-phenylethyl-n-butylether (5331-14-6)

Guidance literature:

With triethylsilane; indium(III) bromide; In chloroform; at 60 ℃; for 2h;

DOI:10.1021/jo070814z

Reference yield: 62.0%

1-iodo-butane (542-69-8) + 2-phenylethanol (60-12-8) → 2-phenylethyl-n-butylether (5331-14-6)

Guidance literature:

With aluminum oxide; potassium fluoride; In acetonitrile; for 124h;

DOI:10.1246/bcsj.55.2504

upstream raw materials:

1-iodo-butane

2-phenylethanol

1-bromo-butane

iodobenzene

Refernces

• 1、 Dong, Guichao,Li, Chuang,Liang, Ting,Xu, Xin,Xu, Zhou. "Silver(I)-Catalyzed Reductive Cross-Coupling of Aldehydes to Structurally Diverse Cyclic and Acyclic Ethers". supporting information. p. 1817 - 1821. Retrieved 2022/03/16.
• 2、 Das, Shoubhik,Li, Yuehui,Junge, Kathrin,Beller, Matthias. "Synthesis of ethers from esters via Fe-catalyzed hydrosilylation". supporting information. p. 10742 - 10744. Retrieved 2013/01/15.