| Identification | More | [Name]
DIETHYL DIETHYLMALONATE | [CAS]
77-25-8 | [Synonyms]
DEDEM
DIETHYL DIETHYLMALONATE
DIETHYLMALONIC ACID DIETHYL ESTER
DIETHYLMALONIC ESTER
DIETHYLYLMALONIC ACID DIETHYL ESTER
ETHYL DIETHYLMALONATE
2,2-diethyl-malonicaciddiethylester
Diethyl 2,2-diethylmalonate
Diethyldiethylpropanedioate
Diethylmalonate diethyl ester
Diethylpropanedioicaciddiethylester
diethyl-propanedioicacidiethylester
Malonic acid, diethyl-, diethyl ester
Propanedioic acid, diethyl-, diethyl ester
diethyl 3,3-pentanedicarboxylate
Diethyldiethylmalonat
2,2-Diethylpropanedioic acid diethyl ester
Pentane-3,3-dicarboxylic acid diethyl ester | [EINECS(EC#)]
201-016-2 | [Molecular Formula]
C11H20O4 | [MDL Number]
MFCD00009132 | [Molecular Weight]
216.27 | [MOL File]
77-25-8.mol |
| Chemical Properties | Back Directory | [Appearance]
clear colorless liquid | [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 ]
14,3789 | [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 Data | Back Directory | [Safety Statements ]
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
3
| [TSCA ]
Yes | [REACH Registrations]
Active | [HS Code ]
29171900 | [Storage Class]
10 - Combustible liquids |
| Hazard Information | Back Directory | [Chemical Properties]
clear colorless liquid | [Uses]
Diethyl Diethylmalonate is an intermediate in the synthesis of Barbital (B118500), a prototype of the barbiturate hypnotics. | [Uses]
manufacture of barbiturates. | [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 |
|
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