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Diethylmalonsaeure
NSC-1986 · DiethylMalonateGr · DIETHYLMALONIC ACID · RARECHEM AL BO 2167 · Malonic acid, diethyl- · Diethylmalonic acid 98% · diethyl-propanedioicaci · 2,2-Diethylmalonic acid
Identifikatoren & physikalische Daten
| CAS No. | 510-20-3 |
|---|---|
| Summenformel | C7H12O4 |
| Durchschnittliche Molmasse | 160,17 g/mol |
| Monoisotopische Masse | 160,07355886 g/mol |
| SMILES | CCC(CC)(C(=O)O)C(=O)O |
| InChIKey | LTMRRSWNXVJMBA-UHFFFAOYSA-N |
| PubChem CID | 68185 |
| EC No. | 208-111-8 |
| DTXSID | DTXSID9060150 |
| Lokaler Name | Diethylmalonsaeure |
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 74,6 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 153 |
| Stoffklassen | Other Classes -> Organic Acids |
| Physical Description | Solid[Merck Index] White crystalline solid[Sigma-Aldrich MSDS] |
| Schmelzpunkt | 129-131 °C (lit.) |
| Siedepunkt | 328.8°C (rough estimate) |
| Dichte | 1.3681 (rough estimate) |
| Brechungsindex | 1.4336 (estimate) |
| Flammpunkt | 61 °C |
| Lagerbedingungen | 2-8°C |
| pKa (Säurekonstante) | pK1:2.151pK2:7.417 (25°C) |
| Aggregatzustand | powder |
| Merck | 13,3151 |
| BRN | 1768554 |
| InChI | 1S/C7H12O4/c1-3-7(4-2,5(8)9)6(10)11/h3-4H2,1-2H3,(H,8,9)(H,10,11) |
| InChIKey | LTMRRSWNXVJMBA-UHFFFAOYSA-N |
| SMILES | CCC(CC)(C(O)=O)C(O)=O |
| CAS Datenbank | 510-20-3(CAS DataBase Reference) |
| EPA chemische Informationen | Propanedioic acid, diethyl- (510-20-3) |
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)Aggregated GHS information provided per 39 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-Propanedioic acid, diethyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
| Gefahrenübersicht | A skin and strong eye irritant[Sigma-Aldrich MSDS] See 2,2-Dimethylmalonic acid. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Diethylmalonic acid is used in chemistry as a buffer with a capacity of pH values above 5.8.