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Diethyldiethylmalonat
Diethyl 2,2-diethylmalonate · DIETHYLMALONIC ACID DIETHYL ESTER · DEDEM · NSC 8710 · DIETHYLMALONIC ESTER · ETHYL DIETHYLMALONATE · Diethyldiethylmalonat · DIETHYL DIETHYLMALOTE
Identifikatoren & physikalische Daten
| CAS No. | 77-25-8 |
|---|---|
| Summenformel | C11H20O4 |
| Durchschnittliche Molmasse | 216,27 g/mol |
| Monoisotopische Masse | 216,13615912 g/mol |
| SMILES | CCOC(=O)C(CC)(CC)C(=O)OCC |
| InChIKey | ZKBBUZRGPULIRN-UHFFFAOYSA-N |
| PubChem CID | 66165 |
| EC No. | 201-016-2 |
| DTXSID | DTXSID0058807 |
| Lokaler Name | Diethyldiethylmalonat |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 52,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 8 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 199 |
| SpringerMaterials Properties | Boiling point |
| Siedepunkt | 228-230 °C (lit.) |
| Dichte | 0.99 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.423(lit.) |
| Flammpunkt | 202 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform, Methanol (Sparingly) |
| Aggregatzustand | Oil |
| Farbe | Clear Colourless |
| Wichte | 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 (Verteilungskoeffizient) | 2.463 (est) |
| CAS Datenbank | 77-25-8(CAS DataBase Reference) |
| EPA chemische Informationen | Propanedioic acid, diethyl-, diethyl ester (77-25-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.WarningH315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Propanedioic acid, diethyl-, diethyl esterStatus: Active Update: 03-02-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/18889Propanedioic acid, diethyl-, diethyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (50%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29171900 |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Diethyl Diethylmalonate is an intermediate in the synthesis of Barbital (B118500), a prototype of the barbiturate hypnotics.