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Tetrahydro-3-methylfuran
Tetrahydro-3-methylfuran · 3-Mehtyl-THF · 3-Methyloxolane · 3-Methyltetrahydrofuran · 1-METHYLTETRAHYDROFURAN · tetrahydro-3-methyl-Furan · Furan,tetrahydro-3-methyl- · 3-Methyl-tetra-hydrofurane
Identifikatoren & physikalische Daten
| CAS No. | 13423-15-9 |
|---|---|
| Summenformel | C5H10O |
| Durchschnittliche Molmasse | 86,13 g/mol |
| Monoisotopische Masse | 86,07316494 g/mol |
| SMILES | CC1CCOC1 |
| InChIKey | LJPCNSSTRWGCMZ-UHFFFAOYSA-N |
| PubChem CID | 98230 |
| EC No. | 236-537-4 |
| DTXSID | DTXSID40871216 |
| Lokaler Name | Tetrahydro-3-methylfuran |
Chemische & physikalische Eigenschaften
| XLogP | 1 |
|---|---|
| Polarare Oberfläche (TPSA) | 9,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 43,2 |
| Schmelzpunkt | -137°C (estimate) |
| Siedepunkt | 89 °C |
| Dichte | 0,87 g/cm3 |
| Dampfdruck | 76hPa at 20℃ |
| Brechungsindex | 1.41979 |
| Flammpunkt | -6°C |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Almost colorless |
| Löslichkeit | 106g/L at 25℃ |
| InChI | InChI=1S/C5H10O/c1-5-2-3-6-4-5/h5H,2-4H2,1H3 |
| InChIKey | LJPCNSSTRWGCMZ-UHFFFAOYSA-N |
| SMILES | O1CCC(C)C1 |
| LogP (Verteilungskoeffizient) | 1.3 at 35℃ |
| EPA chemische Informationen | Furan, tetrahydro-3-methyl- (13423-15-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 111 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Furan, tetrahydro-3-methyl-Furan, tetrahydro-3-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Furan, tetrahydro-3-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Status: Active Update: 30-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/11437 |
| Hazard Classes and Categories | Flam. Liq. 2 (100%) |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 1993 |
| Zollcode | 2932190090 |
| R-Sätze (R) | 11 |
| Sicherheitshinweise (S) | 3/7-9-16-36/37/39 |
| Gefahrenklasse | 3 |
| Verpackungsgruppe | II |
Anwendungen & Verwendung
Verwenden
3-Methyltetrahydrofuran (3-MTHF) is proposed to be a promising fuel component among the cyclic oxygenated species.