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Furan-2,5-diyldimethanol
furan-2,5-diyldimethanol · 2,5-dihydroxymethylfuran · 2,5-BIS(HYDROXYMETHYL)FURAN · NSC 40737 · FaRez 6305 · NSC 524614 · 5-Furandimethanol · 2,5-FURANDIMETHANOL
Identifikatoren & physikalische Daten
| CAS No. | 1883-75-6 |
|---|---|
| Summenformel | C6H8O3 |
| Durchschnittliche Molmasse | 128,13 g/mol |
| Monoisotopische Masse | 128,04734412 g/mol |
| SMILES | OCc1ccc(CO)o1 |
| InChIKey | DSLRVRBSNLHVBH-UHFFFAOYSA-N |
| PubChem CID | 74663 |
| ChEMBL | CHEMBL4303433 |
| ChEBI | CHEBI:59984 |
| EC No. | 217-544-1 |
| DTXSID | DTXSID2062036 |
| Lokaler Name | Furan-2,5-diyldimethanol |
Chemische & physikalische Eigenschaften
| XLogP | -0,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 53,6 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 74,4 |
| Stoffklassen | Other Classes -> Other Organic Compounds |
| Physical Description | Solid[Aldrich MSDS] |
| Schmelzpunkt | 74-77 °C |
| Siedepunkt | 275 °C |
| Dichte | 1.283 |
| Flammpunkt | 120 °C |
| Lagerbedingungen | Sealed in dry,2-8°C |
| Löslichkeit | Acetonitrile (Slightly), DMSO (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 13.74±0.10(Predicted) |
| Farbe | Off-White to Light Yellow |
| InChI | InChI=1S/C6H8O3/c7-3-5-1-2-6(4-8)9-5/h1-2,7-8H,3-4H2 |
| InChIKey | DSLRVRBSNLHVBH-UHFFFAOYSA-N |
| SMILES | O1C(CO)=CC=C1CO |
| LogP (Verteilungskoeffizient) | -1.326 (est) |
| EPA chemische Informationen | 2,5-Furandimethanol (1883-75-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.WarningH302 (60%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.2,5-Furandimethanol: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | An eye irritant[Aldrich MSDS] See Furan and Methyl alcohol. |
| Hazard Classes and Categories | Acute Tox. 4 (60%) |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29321900 |
| Sicherheitshinweise (S) | 24/25 |
Anwendungen & Verwendung
Beschreibung
5-(Hydroxymethyl)furfuryl alcohol is a heterocyclic organic compound that is naturally produced by certain wood-inhabiting fungi. It can be derived by the reduction of the formyl group of 5-hydroxymethylfurfural. 5-(Hydroxymethyl)furfuryl alcohol can be used as a building block in the enzymatic synthesis of biobased polyesters.
Verwenden
5-(Hydroxymethyl)furfuryl Alcohol is a secondary metabolite of Xylaramide, a new antifungal compound.