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| | DIETHYL DIETHYLMALONATE Basic information |
| Product Name: | DIETHYL DIETHYLMALONATE | | Synonyms: | DIETHYLMALONIC ESTER;2,2-diethyl-malonicaciddiethylester;Diethyldiethylpropanedioate;Diethylmalonate diethyl ester;Diethylpropanedioicaciddiethylester;diethyl-propanedioicacidiethylester;Malonic acid, diethyl-, diethyl ester;Propanedioic acid, diethyl-, diethyl ester | | CAS: | 77-25-8 | | MF: | C11H20O4 | | MW: | 216.27 | | EINECS: | 201-016-2 | | Product Categories: | API intermediates;Pharmaceutical Intermediates | | Mol File: | 77-25-8.mol |  |
| | DIETHYL DIETHYLMALONATE Chemical Properties |
| Boiling point | 228-230 °C (lit.) | | density | 0.99 g/mL at 25 °C (lit.) | | refractive index | n20/D 1.423(lit.) | | Fp | 202 °F | | storage temp. | Sealed in dry,Room Temperature | | solubility | Chloroform, Methanol (Sparingly) | | form | Oil | | color | Clear Colourless | | Specific Gravity | 0.988 (20/4℃) | | Merck | 14,3823 | | InChI | 1S/C11H20O4/c1-5-11(6-2,9(12)14-7-3)10(13)15-8-4/h5-8H2,1-4H3 | | InChIKey | ZKBBUZRGPULIRN-UHFFFAOYSA-N | | SMILES | CCOC(=O)C(CC)(CC)C(=O)OCC | | LogP | 2.463 (est) | | CAS DataBase Reference | 77-25-8(CAS DataBase Reference) | | EPA Substance Registry System | Propanedioic acid, diethyl-, diethyl ester (77-25-8) |
| Safety Statements | 24/25 | | WGK Germany | 3 | | TSCA | TSCA listed | | HS Code | 29171900 | | Storage Class | 10 - Combustible liquids |
| | DIETHYL DIETHYLMALONATE Usage And Synthesis |
| Chemical Properties |
clear colorless liquid. Quite powerful, fruity, Pear-like odor.
| | Uses | manufacture of barbiturates. | | Uses | Diethyl Diethylmalonate is an intermediate in the synthesis of Barbital (B118500), a prototype of the barbiturate hypnotics. | | Production Methods |
This ester has been suggested for use in flavor compositions, but it is not sufficiently stable enough to become very popular. The ester has occasionally found use in perfume compositions, mainly as a modifier in fruity notes, winey top note bases, etc. Diethyl diethylmalonate is produced (several methods) e. g. by condensing Ethyl acetate with Ethyl oxalate, heat the resultant Oxaloacetic ester, and esterify the formed Diethyl malonic acid.
| | Synthesis Reference(s) | Journal of the American Chemical Society, 64, p. 578, 1942 DOI: 10.1021/ja01255a034 |
| | DIETHYL DIETHYLMALONATE Preparation Products And Raw materials |
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