Introduction：Basic information about DIBUTYL CARBONATE CAS 542-52-9, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
DIBUTYL CARBONATE Basic information
| Product Name: | DIBUTYL CARBONATE |
| Synonyms: | DI-N-BUTYL CARBONATE;DIBUTYL CARBONATE;CARBON DIOXIDEDI-N-BUTYL ESTER;BUTYL CARBONATE;Carbonic acid, dibutyl ester;Carbonic acid, di-n-butyl ester;Carbonicacid,dibutylester;carbonicaciddibutylester |
| CAS: | 542-52-9 |
| MF: | C9H18O3 |
| MW: | 174.24 |
| EINECS: | 208-816-0 |
| Product Categories: | Inhibitors;CARBONATES |
| Mol File: | 542-52-9.mol |
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DIBUTYL CARBONATE Chemical Properties
| Melting point | <25 °C |
| Boiling point | bp 206.6° |
| density | d420 0.9251; d425 0.9388 |
| refractive index | nD20 1.4117 |
| storage temp. | 2-8°C |
| form | clear liquid |
| color | Colorless to Almost colorless |
| InChI | InChI=1S/C9H18O3/c1-3-5-7-11-9(10)12-8-6-4-2/h3-8H2,1-2H3 |
| InChIKey | QLVWOKQMDLQXNN-UHFFFAOYSA-N |
| SMILES | C(OCCCC)(=O)OCCCC |
| EPA Substance Registry System | Carbonic acid, dibutyl ester (542-52-9) |
Safety Information
| TSCA | TSCA listed |
| HS Code | 2920.90.5100 |
DIBUTYL CARBONATE Usage And Synthesis
| Chemical Properties | liquid |
| Uses | Dibutyl Carbonate is a potential fuel substitute due to the observed decrease in CO2 emissions. Also used in CO2 catalytic activation. |
| Preparation | A 160 mL Parr autoclave was charged with butanol 982 (2.22 g, 0.03 mol), N-cyclohexyl-N',N',N'',N''-tetramethylguanidine (CyTMG; 6.9 g, 0.035 mol), and acetonitrile (30 mL). The autoclave was attached to a pressure head, and 160 psig CO2 was introduced with stirring at room temperature. An exothermic reaction ensued, leading to an increase in temperature to ca. 40℃. In a Fischer–Porter bottle was placed a solution of 1-chlorobutane (8.33 g, 0.09 mol) in acetonitrile (10 mL). This bottle was attached to a pressure head, and 80 psig CO2 was introduced above the solution. After 1 h, the solution of 1-chlorobutane was added in one portion under 80 psig CO2 to the pre-formed carbonate anion solution generated in the autoclave. After the addition, the pressure was increased to 160 psig with CO2, and the reaction mixture was warmed to 85 ℃ for 16 h. Thereafter, the reaction mixture was allowed to cool to room temperature, and then the pressure was released. An aliquot was removed, diluted with diethyl ether, and CyTMGH+Cl- was filtered off; by GC analysis using biphenyl as an internal standard, the yield of dibutyl carbonate was calculated as 73%; oil. |
| Flammability and Explosibility | Not classified |
DIBUTYL CARBONATE Preparation Products And Raw materials
| Preparation Products | 1-Butylimidazole-->Butyl chloroformate |
