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2,5-Anhydro-3,4-didesoxyhexitol
2,5-tetrahydrofurandimethanol · NSC 40741 · 2,5-BISHYDROXYMETHYL TETRAHY · 2,5-ANHYDRO-3,4-DIDEOXYHEXITOL · Tetrahydro-2,5-furandimethanol · Hexitol,2,5-anhydro-3,4-dideoxy- · tetrahydrofuran-2,5-diyldimethanol · 2,5-dihydroxymethyl tetrahydrofuran
Identifikatoren & physikalische Daten
| CAS No. | 104-80-3 |
|---|---|
| Summenformel | C6H12O3 |
| Durchschnittliche Molmasse | 132,16 g/mol |
| Monoisotopische Masse | 132,07864424 g/mol |
| SMILES | OCC1CCC(CO)O1 |
| InChIKey | YCZZQSFWHFBKMU-UHFFFAOYSA-N |
| PubChem CID | 97792 |
| EC No. | 203-239-0 |
| DTXSID | DTXSID40870446 |
| Lokaler Name | 2,5-Anhydro-3,4-didesoxyhexitol |
Chemische & physikalische Eigenschaften
| XLogP | -0,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 49,7 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 74,4 |
| Schmelzpunkt | <-50℃ |
| Siedepunkt | 261.6℃ at 760mmHg |
| Dichte | 1.130±0.06 g/cm3 (20 ºC 760 Torr) |
| Brechungsindex | 1.4810 (589.3 nm 17.5℃) |
| Flammpunkt | 112.0±17.6℃ |
| Lagerbedingungen | Sealed in dry,2-8°C |
| Löslichkeit | Ethyl Acetate (Slightly), Methanol (Slightly) |
| Aggregatzustand | Oil |
| pKa (Säurekonstante) | 14.14±0.10(Predicted) |
| Farbe | Colorless to Pale Yellow |
| Stabilität | Light Sensitive, Very Hygroscopic |
| InChI | InChI=1S/C6H12O3/c7-3-5-1-2-6(4-8)9-5/h5-8H,1-4H2 |
| InChIKey | YCZZQSFWHFBKMU-UHFFFAOYSA-N |
| SMILES | C1(CO)CCC(CO)O1 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315: Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye irritation - category 2STOT SE 3 |
| Zollcode | 2932190090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 39 |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
Organic synthesis, humectant, solvent.