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Ethyltrimethylsilylmalonat
Einecs 242-340-4 · ETHYL TRIMETHYLSILYL MALONATE · O-ethyl 3-O-trimethylsilyl propanedioate · Propanedioic acid 1-ethyl 3-(trimethylsilyl) ester
Identifikatoren & physikalische Daten
| CAS No. | 18457-03-9 |
|---|---|
| Summenformel | C8H16O4Si |
| Durchschnittliche Molmasse | 204,3 g/mol |
| Monoisotopische Masse | 204,08178552 g/mol |
| SMILES | CCOC(=O)CC(=O)O[Si](C)(C)C |
| InChIKey | PVXMKQLVICGFSI-UHFFFAOYSA-N |
| PubChem CID | 87655 |
| EC No. | 242-340-4 |
| DTXSID | DTXSID20171589 |
| Lokaler Name | Ethyltrimethylsilylmalonat |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 52,6 |
|---|---|
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 195 |
| Siedepunkt | 75 °C/0.5 mmHg (lit.) |
| Dichte | 1 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.416(lit.) |
| Flammpunkt | 130 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | liquid |
| BRN | 3082383 |
| InChI | 1S/C8H16O4Si/c1-5-11-7(9)6-8(10)12-13(2,3)4/h5-6H2,1-4H3 |
| InChIKey | PVXMKQLVICGFSI-UHFFFAOYSA-N |
| SMILES | CCOC(=O)CC(=O)O[Si](C)(C)C |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| F | 10-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3272 3/PG 3 |
| R-Sätze (R) | 10 |
| Sicherheitshinweise (S) | 23-24/25 |
| Gefahrenklasse | 3.2Flam. Liq. 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Herstellung & Synthese
synthetische
Ethyl trimethylsilyl malonate is commercially available, or it may be easily prepared from the potassium salt of Ethyl Malonate. Methyl trimethylsilyl malonate has been prepared from tbutyl methyl malonate by treatment with Trimethylsilyl Trifluoromethanesulfonate, or from Meldrum's acid (2,2-Dimethyl-1,3-dioxane-4,6-dione) and methyl trimethylsilyl ether. The preparation and use of tbutyl trimethylsilyl malonate has been reported, although it has not been isolated and characterized.