(3-Butoxypropyl)benzene

Base Information

• Chemical Name: (3-Butoxypropyl)benzene
• CAS No.: 76382-80-4
• Molecular Formula: C13H20 O
• Molecular Weight: 192.301
• NSC Number: 71402
• DSSTox Substance ID: DTXSID10290839
• Nikkaji Number: J1.414.000J
• Wikidata: Q82028635

Synonyms:76382-80-4;(3-butoxypropyl)benzene;NSC71402;SCHEMBL3438768;DTXSID10290839;NSC-71402

Chemical Property of (3-Butoxypropyl)benzene

Chemical Property:

• Vapor Pressure: 0.0121mmHg at 25°C
• Boiling Point: 269.3°C at 760 mmHg
• Flash Point: 121.7°C
• Density: 0.91g/cm³
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 192.151415257
• Heavy Atom Count: 14
• Complexity: 116

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOCCCC1=CC=CC=C1

Technology Process of (3-Butoxypropyl)benzene

There total 15 articles about (3-Butoxypropyl)benzene 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: 95.0%

3-phenyl-propionaldehyde (104-53-0) + 1-butoxydimethylsilane (26804-31-9) → butyl phenylpropyl ether (76382-80-4)

Guidance literature:

With trimethylsilyl iodide; In dichloromethane; at 0 - 20 ℃; for 2h;

DOI:10.1055/s-2002-19779

Reference yield: 89.0%

3-phenyl-propionaldehyde (104-53-0) + butoxytrimethylsilane (1825-65-6) → butyl phenylpropyl ether (76382-80-4)

Guidance literature:

With triethylsilane; iron(III) chloride; In nitromethane; at 20 ℃; for 0.166667h;

DOI:10.1055/s-2004-834942

Reference yield: 78.0%

tris(2-butoxyethyl) phosphate (78-51-3) + benzylmagnesium chloride (6921-34-2) → butyl phenylpropyl ether (76382-80-4)

Guidance literature:

In neat (no solvent); at 120 ℃; for 6h;

DOI:10.1055/a-1504-8366

upstream raw materials:

1-bromo-butane

Natrium-(3-phenyl-propylat)

phenylpropyl chloride

sodium butanolate

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