Dibutyl carbonate

Base Information

• Chemical Name: Dibutyl carbonate
• CAS No.: 542-52-9
• Molecular Formula: C9H18O3
• Molecular Weight: 174.24
• Hs Code.: 2920909090
• European Community (EC) Number: 208-816-0
• NSC Number: 8462
• UNII: 62WFZ7P7QB
• DSSTox Substance ID: DTXSID7060255
• Nikkaji Number: J24.005B
• Wikidata: Q27263518
• Mol file: 542-52-9.mol

Synonyms:Dibutyl carbonate;542-52-9;Carbonic acid, dibutyl ester;n-Butyl carbonate;Dibutylcarbonate;Di-n-butyl carbonate;UNII-62WFZ7P7QB;Carbonic acid dibutyl ester;62WFZ7P7QB;NSC 8462;NSC-8462;EINECS 208-816-0;MFCD00043938;AI3-30046;Dibuthyl carbonate;di-n-butylcarbonate;Carbonic acid dibutyl;SCHEMBL37837;n-C4H9OC(O)OC4H9-n;N-BUTYL CARBONATE [MI];DTXSID7060255;Carbonic acid, di-n-butyl ester;NSC8462;AKOS006227648;CM-0764;SY164704;CS-0030718;FT-0624677;C75547;EN300-183233;Q27263518

Chemical Property of Dibutyl carbonate

Chemical Property:

• Appearance/Colour: liquid
• Vapor Pressure: 0.228mmHg at 25°C
• Melting Point: < 25 °C
• Refractive Index: 1.419
• Boiling Point: 207.2 °C at 760 mmHg
• Flash Point: 76 °C
• PSA: 35.53000
• Density: 0.932 g/cm³
• LogP: 2.73980
• Storage Temp.: 2-8°C
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 174.125594432
• Heavy Atom Count: 12
• Complexity: 100

Purity/Quality:

99.9% ^*data from raw suppliers

Dibutyl Carbonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC(=O)OCCCC
• Uses: Dibutyl Carbonate is a potential fuel substitute due to the observed decrease in CO2 emissions. Also used in CO2 catalytic activation.

Technology Process of Dibutyl carbonate

There total 99 articles about Dibutyl carbonate 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: 99.0%

carbon dioxide (124-38-9,18923-20-1) + butan-1-ol (71-36-3) → Dibutyl carbonate (542-52-9)

Guidance literature:

1,1,3,3-tetra-n-butyl-1,3-di(n-butyloxy)-distanoxane; di-n-butyl-di(n-butyloxy)tin; at 120 ℃; for 4h; Industry scale; Autoclave;

Reference yield: 99.0%

carbon dioxide (124-38-9,18923-20-1) + di-n-butyl-di(n-butyloxy)tin (3349-36-8) → Dibutyl carbonate (542-52-9)

Guidance literature:

at 120 ℃; for 4h; Autoclave;

Reference yield: 89.4%

sulfolane (126-33-0,208252-54-4) + butan-1-ol (71-36-3) → Dibutyl carbonate (542-52-9)

Guidance literature:

In N,N-dimethyl-formamide; at 190 ℃; for 70h; under 1125.11 Torr; Temperature; Pressure; Solvent;

upstream raw materials:

allophanic acid butyl ester

butan-1-ol

urea

1-iodo-butane

Downstream raw materials:

1,3-dioxa-cyclopentadecan-2-one

1,3,16,18-tetraoxa-cyclotriacontane-2,17-dione

1-butylene

butan-1-ol

Refernces

• 1、 Angelini, Antonella,Dibenedetto, Angela,Fasciano, Stefania,Aresta, Michele. "Synthesis of di-n-butyl carbonate from n-butanol: Comparison of the direct carboxylation with butanolysis of urea by using recyclable heterogeneous catalysts". . p. 371 - 378. Retrieved 2017.
• 2、 -. "CATALYST AND PRECURSOR THEREOF AND METHOD OF FORMING DIALKYL CARBONATE". Paragraph 0033-0035; 0037-0038. . Retrieved 2021/06/22.
• 3、 -. "METHOD FOR PRODUCING CARBONATE ESTERS, AND CATALYTIC STRUCTURE FOR PRODUCING CARBONATE ESTERS". Paragraph 0148-0149; 0179-0180. . Retrieved 2021/09/17.