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Diethoxymethylacetat
Nsc158267 · DIETHOXYMETHYL ACETATE · Diethoxymethyleacetate · diethoxy-methanoacetate · Diethyloxymethyl acetate · METHYL 2,2-DIETHOXYACETATE · Diethoxymethyl Acetate >Diethoxymethyl acetate ,97% · methanol, diethoxy-, acetate

Identifikatoren & physikalische Daten
| CAS No. | 14036-06-7 |
|---|---|
| Summenformel | C7H14O4 |
| Durchschnittliche Molmasse | 162,18 g/mol |
| Monoisotopische Masse | 162,08920893 g/mol |
| SMILES | CCOC(OCC)OC(C)=O |
| InChIKey | IRUNKQSGDBYUDC-UHFFFAOYSA-N |
| PubChem CID | 84166 |
| EC No. | 237-873-4 |
| DTXSID | DTXSID80884547 |
| Lokaler Name | Diethoxymethylacetat |
Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 44,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 107 |
| Siedepunkt | 170-172 °C(Press: 743 Torr) |
| Dichte | 0.993 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.399(lit.) |
| Flammpunkt | 82 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | sol most common organic solvents |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless |
| BRN | 1209886 |
| InChI | 1S/C7H14O4/c1-4-9-7(10-5-2)11-6(3)8/h7H,4-5H2,1-3H3 |
| InChIKey | IRUNKQSGDBYUDC-UHFFFAOYSA-N |
| SMILES | CCOC(OCC)OC(C)=O |
| LogP (Verteilungskoeffizient) | 1.920 (est) |
| NIST chemische Informationen | Diethoxymethyl acetate(14036-06-7) |
| EPA chemische Informationen | Methanol, diethoxy-, acetate (14036-06-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| F | 9-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3272 3/PG 3 |
| Zollcode | 29153900 |
| R-Sätze (R) | 10-36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 16-26-36/37/39 |
| Gefahrenklasse | 3.2Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
Diethoxymethyl acetate was used in the synthesis of D-mannosyl, D-galactosyl and D-glucosyl theophylline nucleosides.
Herstellung & Synthese
synthetische
Diethoxymethyl acetate can be best prepared from triethyl orthoformate and formic acid/acetic anhydride.