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Dimethylmethylmalonat
Dimethyl 2-methylmalonate · Dimethyl isosuccinate · dimethyl 2-methylpropanedioate · Ethylidenebis(formic acid methyl) ester · Propanedioic acid, methyl-, dimethyl ester · DIMETHYL METHYLMALONATE · Isosuccinic acid dimethyl · Methylmalonic acid dimethyl
Identifikatoren & physikalische Daten
| CAS No. | 609-02-9 |
|---|---|
| Summenformel | C6H10O4 |
| Durchschnittliche Molmasse | 146,14 g/mol |
| Monoisotopische Masse | 146,0579088 g/mol |
| SMILES | COC(=O)C(C)C(=O)OC |
| InChIKey | LRBPFPZTIZSOGG-UHFFFAOYSA-N |
| PubChem CID | 69104 |
| EC No. | 210-173-6 |
| DTXSID | DTXSID5060564 |
| Lokaler Name | Dimethylmethylmalonat |
Chemische & physikalische Eigenschaften
| XLogP | 0,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 52,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 125 |
| SpringerMaterials Properties | Density |
| Siedepunkt | 176-177 °C(lit.) |
| Dichte | 1.098 g/mL at 25 °C(lit.) |
| Dampfdruck | 0.2 mm Hg ( 20 °C) |
| Brechungsindex | n20/D 1.414(lit.) |
| Flammpunkt | 169 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | liquid |
| pKa (Säurekonstante) | 13.08±0.46(Predicted) |
| Wichte | approximate 1.10 (20℃) |
| Farbe | Colourless |
| InChI | InChI=1S/C6H10O4/c1-4(5(7)9-2)6(8)10-3/h4H,1-3H3 |
| InChIKey | LRBPFPZTIZSOGG-UHFFFAOYSA-N |
| SMILES | C(OC)(=O)C(C)C(OC)=O |
| CAS Datenbank | 609-02-9(CAS DataBase Reference) |
| NIST chemische Informationen | Propanedioic acid, methyl-, dimethyl ester(609-02-9) |
| EPA chemische Informationen | Propanedioic acid, methyl-, dimethyl ester (609-02-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.WarningH227 (50%): Combustible liquid [Warning Flammable liquids]P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, 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. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 4 (50%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2917198090 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Dimethyl methylmalonate is a versatile compound with multiple uses in the chemical industry. It is a key ingredient in the synthesis of flavours and other organic compounds.