| Identification | Back Directory | [Name]
DIBUTYL CARBONATE | [CAS]
542-52-9 | [Synonyms]
BUTYL CARBONATE
DIBUTYL CARBONATE
n-Butyl carbonate
n-C4H9OC(O)OC4H9-n
DI-N-BUTYL CARBONATE
Carbonic acid dibutyl
carbonicaciddibutylester
Carbonicacid,dibutylester
Di-n-butyl carbonate, 98+%
Carbonic acid, dibutyl ester
CARBON DIOXIDEDI-N-BUTYL ESTER
Carbonic acid, di-n-butyl ester
DI-N-BUTYL CARBONATE FOR SYNTHESIS | [EINECS(EC#)]
208-816-0 | [Molecular Formula]
C9H18O3 | [MDL Number]
MFCD00043938 | [MOL File]
542-52-9.mol | [Molecular Weight]
174.24 |
| Chemical Properties | Back Directory | [Appearance]
liquid | [Melting point ]
<25 °C | [Boiling point ]
bp 206.6° | [density ]
d420 0.9251; d425 0.9388 | [refractive index ]
nD20 1.4117 | [storage temp. ]
Sealed in dry,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) |
| Hazard Information | Back Directory | [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]
Notclassified |
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