Carbonic acid, butyl ethyl ester

Base Information

• Chemical Name: Carbonic acid, butyl ethyl ester
• CAS No.: 30714-78-4
• Molecular Formula: C7H14 O3
• Molecular Weight: 146.186
• NSC Number: 122766
• DSSTox Substance ID: DTXSID70184740
• Nikkaji Number: J191.545B
• Wikidata: Q83055672
• Mol file: 30714-78-4.mol

Synonyms:Ethyl butyl carbonate;Carbonic acid, butyl ethyl ester;30714-78-4;carbonic acid butyl ethyl ester;SCHEMBL137933;Carbonic acid butyl(ethyl) ester;DTXSID70184740;NSC122766;NSC 122766;NSC-122766

Chemical Property of Carbonic acid, butyl ethyl ester

Chemical Property:

• Vapor Pressure: 2.09mmHg at 25°C
• Boiling Point: 163.2°Cat760mmHg
• Flash Point: 58°C
• PSA: 35.53000
• Density: 0.949g/cm³
• LogP: 1.95960
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 146.094294304
• Heavy Atom Count: 10
• Complexity: 90.9

Purity/Quality:

98%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC(=O)OCC

Technology Process of Carbonic acid, butyl ethyl ester

There total 3 articles about Carbonic acid, butyl ethyl ester 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: 51.2%

ethyl N-hydroxylcarbamate (589-41-3) + butan-1-ol (71-36-3) → ethyl n-butyl carbonate (30714-78-4) + Diethyl carbonate (105-58-8,76619-83-5)

Guidance literature:

With lead dioxide; In dichloromethane; at 40 ℃; for 0.166667h;

DOI:10.1135/cccc19961053

Reference yield: 23.0%

ethanol (64-17-5) + butan-1-ol (71-36-3) → ethyl n-butyl carbonate (30714-78-4) + Dibutyl carbonate (542-52-9) + Diethyl carbonate (105-58-8,76619-83-5)

Guidance literature:

With carbon dioxide; di-n-butyl-di(n-butyloxy)tin; at -68 - 150 ℃; for 22h; under 15001.5 Torr; Cooling with ethanol-dry ice;

Reference yield:

1-bromo-butane (109-65-9) + ethanol (64-17-5) + carbon dioxide (124-38-9,18923-20-1) → butyl ethyl ether (628-81-9) + ethyl n-butyl carbonate (30714-78-4)

Guidance literature:

With N,N,N',N'-tetramethylguanidine; In neat liquid; at 50 ℃; for 24h;

DOI:10.1071/CH18623

upstream raw materials:

ethyl N-hydroxylcarbamate

butan-1-ol

ethanol

1-bromo-butane

Downstream raw materials:

1-butylene

ethanol

ethene

butan-1-ol

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