| Identification | More | [Name]
Diethyl dibutylmalonate | [CAS]
596-75-8 | [Synonyms]
DEDNBM
DIETHYL DIBUTYL MALONATE
DIETHYL DI-N-BUTYLMALONATE
DI-N-BUTYLMALONIC ACID DIETHYL ESTER
dibutyl-propanedioicacidiethylester
Diethyl 2,2-dibutylmalonate
Malonic acid, dibutyl-, diethyl ester
Diethyldi-n-butylmalonate,98+%
dibutyl-propanedioic acid diethyl ester
2,2-Dibutylmalonic acid diethyl ester | [EINECS(EC#)]
209-890-7 | [Molecular Formula]
C15H28O4 | [MDL Number]
MFCD00026842 | [Molecular Weight]
272.38 | [MOL File]
596-75-8.mol |
| Chemical Properties | Back Directory | [Appearance]
colourless liquid | [Boiling point ]
150 °C12 mm Hg(lit.) | [density ]
0.945 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.433(lit.)
| [Fp ]
>230 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [form ]
clear liquid | [color ]
Colorless to Almost colorless | [Stability:]
Stable. Incompatible with bases, strong oxidizing agents. Combustible. | [BRN ]
518421 | [InChI]
InChI=1S/C15H28O4/c1-5-9-11-15(12-10-6-2,13(16)18-7-3)14(17)19-8-4/h5-12H2,1-4H3 | [InChIKey]
WHKKUUPZLWUOIW-UHFFFAOYSA-N | [SMILES]
C(OCC)(=O)C(CCCC)(CCCC)C(OCC)=O | [CAS DataBase Reference]
596-75-8(CAS DataBase Reference) | [NIST Chemistry Reference]
Propanedioic acid, dibutyl-, diethyl ester(596-75-8) | [EPA Substance Registry System]
596-75-8(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
R22:Harmful if swallowed. | [Safety Statements ]
S24/25:Avoid contact with skin and eyes . | [TSCA ]
Yes | [HS Code ]
29153900 |
| Hazard Information | Back Directory | [Chemical Properties]
colourless liquid | [Application]
Diethyl dibutylmalonate can be used to prepare Guerbet acid. Guerbet acid is a fatty acid with a long branched alkane at the α position of the carboxylic acid. Compared with straight-chain fatty acids with the same carbon number, it has the characteristics of being colorless and odorless, having almost no adverse effects on the human body, having a low freezing point, and having low irritation. It is widely used in industrial lubricants, metalworking fluids, cosmetics, surfactants and additives. | [Synthesis]
Under nitrogen protection, 100 g of diethyl malonate and 300 ml of anhydrous ethanol were added to a 1000 ml three-necked round bottom flask. 40.5 g of sodium methanol was slowly added at room temperature followed by dropwise addition of 102.8 g of n-bromobutane. The reaction mixture was heated to reflux for 3 hours. Upon completion of the reaction, the reaction was cooled to room temperature, 40.5 g of sodium methanol was added again and 102.8 g of n-bromobutane was added slowly dropwise and the reaction was continued to be heated and refluxed for 3 hours. At the end of the reaction, cooled to room temperature and removed the solvent under reduced pressure. The pH of the reaction system was adjusted to 7 with 1 mol/L aqueous sulfuric acid, and the organic phase was separated and washed with appropriate amount of water. Finally, diethyl di-n-butylmalonate was purified by distillation under reduced pressure to yield 154 g (90.6% yield). | [References]
[1] Patent: CN106748724, 2017, A. Location in patent: Paragraph 0024
[2] Journal of Organic Chemistry, 1995, vol. 60, # 20, p. 6379 - 6388
[3] Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999), 1992, # 18, p. 2679 - 2684 |
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