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Diethylpropylmalonat
NSC 53659 · Diethyl propyl · ETHYL PROPYLMALONATE · Diethyl propylMalona · Diethyl propylmalote · DIETHYL PROPYLMALONATE · DIETHYL N-PROPYLMALONATE · Diethyl 2-propylmalonate
Identifikatoren & physikalische Daten
| CAS No. | 2163-48-6 |
|---|---|
| Summenformel | C10H18O4 |
| Durchschnittliche Molmasse | 202,25 g/mol |
| Monoisotopische Masse | 202,12050906 g/mol |
| SMILES | CCCC(C(=O)OCC)C(=O)OCC |
| InChIKey | GRRSDGHTSMJICM-UHFFFAOYSA-N |
| PubChem CID | 16552 |
| EC No. | 218-492-2 |
| DTXSID | DTXSID60176018 |
| Lokaler Name | Diethylpropylmalonat |
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 52,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 8 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 171 |
| SpringerMaterials Properties | Density |
| Siedepunkt | 221-222 °C (lit.) |
| Dichte | 0.987 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.418(lit.) |
| Flammpunkt | 197 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Soluble in Dichloromethane, Ethanol and Ethyl Acetate. |
| Aggregatzustand | Oil |
| pKa (Säurekonstante) | 13.32±0.46(Predicted) |
| Farbe | Clear Colourless |
| BRN | 510157 |
| InChI | InChI=1S/C10H18O4/c1-4-7-8(9(11)13-5-2)10(12)14-6-3/h8H,4-7H2,1-3H3 |
| InChIKey | GRRSDGHTSMJICM-UHFFFAOYSA-N |
| SMILES | C(OCC)(=O)C(CCC)C(OCC)=O |
| CAS Datenbank | 2163-48-6(CAS DataBase Reference) |
| NIST chemische Informationen | Diethyl propylmalonate(2163-48-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Propanedioic acid, propyl-, diethyl ester |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to human health |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29171900 |
| R-Sätze (R) | 10 |
| Sicherheitshinweise (S) | 16-24/25-36/37/39-15/16 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Diethyl propylmalonate was used in the synthesis of propylacrylic acid (PAA).