HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 11686Erstellt: 26. Oktober 2026
Dimethylmalonsure
2,2-DIMETHYLMALONIC ACID · Dimethylmalonic · RARECHEM AL BO 1448 · DIMETHYLMALONIC ACID · diMethyl-panedioicaci · Malonicacid, dimethyl- · DimethylmalonicAcid>Dimethylmalonic acid 98% · dimethyl-propanedioicaci
https://huagongshe.com/de/chemical/11686
Identifikatoren & physikalische Daten
| CAS No. | 595-46-0 |
|---|
| Summenformel | C5H8O4 |
|---|
| Durchschnittliche Molmasse | 132,11 g/mol |
|---|
| Monoisotopische Masse | 132,04225873 g/mol |
|---|
| SMILES | CC(C)(C(=O)O)C(=O)O |
|---|
| InChIKey | OREAFAJWWJHCOT-UHFFFAOYSA-N |
|---|
| PubChem CID | 11686 |
|---|
| ChEMBL | CHEMBL3360549 |
|---|
| ChEBI | CHEBI:111517 |
|---|
| EC No. | 209-867-1 |
|---|
| DTXSID | DTXSID5060489 |
|---|
| Lokaler Name | Dimethylmalonsure |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 0,4 |
|---|
| Polarare Oberfläche (TPSA) | 74,6 |
|---|
| H-Brücken-Donoren | 2 |
|---|
| H-Brücken-Akzeptoren | 4 |
|---|
| Frei drehbare Bindungen | 2 |
|---|
| Schwere Atome | 9 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 131 |
|---|
| LogP (Verteilungskoeffizient) | 0.39 |
|---|
| Löslichkeit | 90 mg/mL at 13 °Csoluble in Methanol90g/L(13 ºC) |
|---|
| Schmelzpunkt | 192 °C191-193 °C (lit.) |
|---|
| Dampfdruck | 0.0014 [mmHg] |
|---|
| Physical Description | White crystalline solid[Sigma-Aldrich MSDS] |
|---|
| Siedepunkt | 292.77°C (rough estimate) |
|---|
| Dichte | 1.5633 (rough estimate) |
|---|
| Brechungsindex | 1.4016 (estimate) |
|---|
| Lagerbedingungen | 2-8°C |
|---|
| Aggregatzustand | Solid |
|---|
| pKa (Säurekonstante) | 3.15(at 25℃) |
|---|
| Farbe | White to Almost white |
|---|
| BRN | 774375 |
|---|
| InChI | 1S/C5H8O4/c1-5(2,3(6)7)4(8)9/h1-2H3,(H,6,7)(H,8,9) |
|---|
| InChIKey | OREAFAJWWJHCOT-UHFFFAOYSA-N |
|---|
| SMILES | CC(C)(C(O)=O)C(O)=O |
|---|
| CAS Datenbank | 595-46-0(CAS DataBase Reference) |
|---|
| NIST chemische Informationen | Propanedioic acid, dimethyl-(595-46-0) |
|---|
| EPA chemische Informationen | Propanedioic acid, dimethyl- (595-46-0) |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|
| Regulatorische Informationen | Chemical: Propanedioic acid, dimethyl-Propanedioic acid, dimethyl-: Does not have an individual approval but may be used under an appropriate group standard |
|---|
| Weitere Sicherheitsinformationen | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
|---|
| Gefahrenübersicht | A skin and strong eye irritant[Sigma-Aldrich MSDS] See Malonic acid. |
|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (97.6%) |
|---|
| Wassergefährdungsklasse (WGK) | 3 |
|---|
| TSCA-Inventar-Status | TSCA listed |
|---|
| Zollcode | 29171900 |
|---|
| R-Sätze (R) | 36/37/38 |
|---|
| Gefahrensymbole | Xi |
|---|
| Sicherheitshinweise (S) | 26-36 |
|---|
| Gefahrenklasse | IRRITANT |
|---|
| Lagerklasse | 11 - Combustible Solids |
|---|
