Diethyl malonate
ALDRICH/D97754 - ReagentPlus®, 99%
Synonym: Malonic acid diethyl ester
CAS Number: 105-53-3
Empirical Formula (Hill Notation): C7H12O4
Molecular Weight: 160.17
EC Number: 203-305-9
MDL Number: MFCD00009195
Linear Formula: CH2(COOC2H5)2
Product Type: Chemical
| assay | 99% |
| bp | 199 °C (lit.) |
| density | 1.055 g/mL at 25 °C (lit.) |
| form | liquid |
| InChI | 1S/C7H12O4/c1-3-10-6(8)5- |
| InChI key | IYXGSMUGOJNHAZ-UHFFFAOYSA |
| mp | −51-−50 °C (lit.) |
| product line | ReagentPlus® |
| Quality Level | 200  |
| refractive index | n |
| SMILES string | CCOC(=O)CC(=O)OCC |
| vapor density | 5.52 (vs air) |
| vapor pressure | 1 mmHg ( 40 °C) |
| Application: | Diethyl malonate was used to investigate Knoevenagel condensation reactions in microreactor using zeolite catalysts obtained by grafting amino groups onto NaX and CsNaX zeolites. It may be used in the synthesis of diethyl benzylidenemalonate by base catalyzed Knoevenagel condensation with benzaldehyde. It may be used in the synthesis of α-aryl malonates. |
| General description: | Diethyl malonate is diethyl ester of malonic acid. It is widely used as a versatile building block for introducing the malonate functional group into molecules. Acylation of diethyl malonate using magnesium chloride and triethylamine is reported. K2CO3-catalyzed 1,4-addition reaction of diethyl malonate with various substituted 1,2-allenic ketones yields polyfunctionalized β,γ-unsaturated enones. |
| Legal Information: | ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany |
| Packaging: | 1, 2.5 kg in poly bottle |
| Packaging: | 25 g in glass bottle |
| Packaging: | 500 g in poly bottle |
| Packaging: | Packaged in glass bottles |
| Symbol |  GHS07 |
| Signal word | Warning |
| Hazard statements | H319 |
| Precautionary statements | P264 - P280 - P305 + P351 + P338 - P337 + P313 |
| Hazard Codes | Xi |
| Risk Statements | 36 |
| Safety Statements | 26 |
| WGK Germany | WGK 1 |
| Flash Point(F) | 194.0 °F - closed cup |
| Flash Point(C) | 90 °C - closed cup |
| Purity | 99% |
| bp | 199 °C (lit.) |
| mp | −51-−50 °C (lit.) |
| Density | 1.055 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |