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Tetrahydro-2,5-dimethoxyfuran
DMTHF · DIMETHOXYTETRAHYDROFURAN · TETRAHYDRO-2,5-DIMETHOXYFURAN · 5-DiMethoxytetrahydrofuran · cis,trans-2,5-Dimethoxytetrahydrofuran · Protectol DMT · Dimethoxytetrahydr · 2,5-Dimethoxytetrahy
Identifikatoren & physikalische Daten
| CAS No. | 696-59-3 |
|---|---|
| Summenformel | C6H12O3 |
| Durchschnittliche Molmasse | 132,16 g/mol |
| Monoisotopische Masse | 132,07864424 g/mol |
| SMILES | COC1CCC(OC)O1 |
| InChIKey | GFISDBXSWQMOND-UHFFFAOYSA-N |
| PubChem CID | 79098 |
| EC No. | 211-797-1 |
| DTXSID | DTXSID10862378 |
| Lokaler Name | Tetrahydro-2,5-dimethoxyfuran |
Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 27,7 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 74,4 |
| Schmelzpunkt | -45 °C |
| Siedepunkt | 145-147 °C(lit.) |
| Dichte | 1.023 g/mL at 20 °C(lit.) |
| Dampfdruck | 5 hPa (20 °C) |
| Brechungsindex | n20/D 1.418 |
| Flammpunkt | 95 °F |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | 300g/l350 g/L (20 ºC) |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to slightly yellow |
| pH | 5 (300g/l, H2O, 20℃) |
| Explosionsgrenze | 2.0-12.3%(V) |
| BRN | 104261 |
| InChI | 1S/C6H12O3/c1-7-5-3-4-6(8-2)9-5/h5-6H,3-4H2,1-2H3 |
| InChIKey | GFISDBXSWQMOND-UHFFFAOYSA-N |
| SMILES | COC1CCC(OC)O1 |
| LogP (Verteilungskoeffizient) | 0.34 at 20℃ |
| CAS Datenbank | 696-59-3(CAS DataBase Reference) |
| NIST chemische Informationen | Furan, tetrahydro-2,5-dimethoxy-(696-59-3) |
| EPA chemische Informationen | Furan, tetrahydro-2,5-dimethoxy- (696-59-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (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, P305+P354+P338, P317, 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 190 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Furan, tetrahydro-2,5-dimethoxy-Status: Active Update: 23-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/317832,5-Dimethoxytetrahydrofuran: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1993 3/PG 3 |
| Zollcode | 29321900 |
| R-Sätze (R) | 10-36/37/38-36-20/21 |
| Toxizität | LD50 orally in Rabbit: 2040 mg/kg |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-36-36/37/39-16 |
| Gefahrenklasse | 3Acute Tox. 3 InhalationFlam. Liq. 3Skin Irrit. 2 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
| Selbstentzündungstemperatur | >205 °C |
Anwendungen & Verwendung
Verwenden
2,5-Dimethoxytetrahydrofuran is a tetrahydrofuran derivative that finds application in proteomics research and in organic synthesis. It is also used as an intermediate for atropine sulfate, which is an anticholinergic drug. Further, it acts as a precursor of butanediol. In addition to this, it is used as a photographic hardener and as disinfectant in formulations.