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Malondialdehydbis(diethylacetal)
1,1,3,3-TETRAETHOXYPROPANE · Propane, 1,1,3,3-tetraethoxy- · Tetraethoxypropane · usafkf-26 · USAF kf-26 · CAS NO 122-31-6 · malonaldehyde bis · Malonaldehyde diethyl
Identifikatoren & physikalische Daten
| CAS No. | 122-31-6 |
|---|---|
| Summenformel | C11H24O4 |
| Durchschnittliche Molmasse | 220,31 g/mol |
| Monoisotopische Masse | 220,16745925 g/mol |
| SMILES | CCOC(CC(OCC)OCC)OCC |
| InChIKey | KVJHGPAAOUGYJX-UHFFFAOYSA-N |
| PubChem CID | 67147 |
| EC No. | 204-533-1 |
| DTXSID | DTXSID70153456 |
| Lokaler Name | Malondialdehydbis(diethylacetal) |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 36,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 10 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 104 |
| Stoffklassen | Other Classes -> Acetals |
| SpringerMaterials Properties | Optical coefficient |
| Physical Description | Clear liquid[Aldrich MSDS] |
| Schmelzpunkt | -90 °C |
| Siedepunkt | 220 °C (lit.) |
| Dichte | 0.919 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.411(lit.) |
| Flammpunkt | 190 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)insoluble |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to yellow |
| BRN | 1209619 |
| InChI | InChI=1S/C11H24O4/c1-5-12-10(13-6-2)9-11(14-7-3)15-8-4/h10-11H,5-9H2,1-4H3 |
| InChIKey | KVJHGPAAOUGYJX-UHFFFAOYSA-N |
| SMILES | C(OCC)(OCC)CC(OCC)OCC |
| CAS Datenbank | 122-31-6(CAS DataBase Reference) |
| NIST chemische Informationen | Propane, 1,1,3,3-tetraethoxy-(122-31-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Propane, 1,1,3,3-tetraethoxy-Malondialdehyde bis (diethyl acetal): Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | A mild skin irritantCauses muscle contraction or spasticity, dyspnea, and cyanosis in oral lethal-dose studies of rats[RTECS] May cause irritationHarmful by ingestion[Aldrich MSDS] |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 1993 |
| Zollcode | 29110000 |
| RTECS-Nr. | ON8750000 |
| R-Sätze (R) | 22 |
| Toxizität | LD50 orally in Rabbit: 1610 mg/kg |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 36/37/39-26-24/25 |
| Gefahrenklasse | 3.2Acute Tox. 4 Oral |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Organic synthesis.