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4-Methoxybutan-2-on-dimethylacetal
Einecs 229-555-9 · 3,3-Trimethoxybutane · 1,3,3-TRIMETHOXYBUTANE · Butane, 1,3,3-trimethoxy- · 1,3,3-TriMethoxybutane 97% · 4-methoxybutan-2-one-dimethylacetal · 4-METHOXY-2-BUTANONE DIMETHYL ACETAL
Identifikatoren & physikalische Daten
| CAS No. | 6607-66-5 |
|---|---|
| Summenformel | C7H16O3 |
| Durchschnittliche Molmasse | 148,2 g/mol |
| Monoisotopische Masse | 148,10994437 g/mol |
| SMILES | COCCC(C)(OC)OC |
| InChIKey | DIQSNTFKLAYVOT-UHFFFAOYSA-N |
| PubChem CID | 81084 |
| EC No. | 229-555-9 |
| DTXSID | DTXSID30216273 |
| Lokaler Name | 4-Methoxybutan-2-on-dimethylacetal |
Chemische & physikalische Eigenschaften
| XLogP | 0,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 27,7 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 78,9 |
| Siedepunkt | 61-63 °C/20 mmHg (lit.) |
| Dichte | 0.94 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.41(lit.) |
| Flammpunkt | 114 °F |
| Aggregatzustand | liquid |
| InChI | 1S/C7H16O3/c1-7(9-3,10-4)5-6-8-2/h5-6H2,1-4H3 |
| InChIKey | DIQSNTFKLAYVOT-UHFFFAOYSA-N |
| SMILES | COCCC(C)(OC)OC |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3271 3/PG 3 |
| R-Sätze (R) | 10 |
| Sicherheitshinweise (S) | 16 |
| Gefahrenklasse | 3.2Flam. Liq. 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
1,3,3-Trimethoxybutane may be used in chemical synthesis studies.