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1,4-Dioxan-2,3-diol
trans-1,4-Dioxane-2,3-diol · Dioxanediol · 1,4-Dioxan-2,3-diol · 1,4-DIOXANE-2,3-DIOL · 1,4-Dioxane-2,3-diol>1,4-Dioxane-2,3-diol,97% · 2,3-DIHYDROXY-1,4-DIOXANE · 1,4-Dioxane-2,3-diol, 98%, · GLYOXAL MONOETHYLENE ACETAL
Identifikatoren & physikalische Daten
| CAS No. | 4845-50-5 |
|---|---|
| Summenformel | C4H8O4 |
| Durchschnittliche Molmasse | 120,1 g/mol |
| Monoisotopische Masse | 120,04225874 g/mol |
| SMILES | OC1OCCOC1O |
| InChIKey | YLVACWCCJCZITJ-UHFFFAOYSA-N |
| PubChem CID | 96170 |
| ChEMBL | CHEMBL3181831 |
| EC No. | 225-431-3 |
| DTXSID | DTXSID1038824 |
| Lokaler Name | 1,4-Dioxan-2,3-diol |
Chemische & physikalische Eigenschaften
| XLogP | -1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 58,9 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 64,4 |
| Schmelzpunkt | 91-95 °C(lit.) |
| Siedepunkt | 259.4±40.0 °C(Predicted) |
| Dichte | 1.455±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Storage temp. 2-8°C |
| Aggregatzustand | Powder or Crystalline Powder |
| pKa (Säurekonstante) | 11.72±0.40(Predicted) |
| Farbe | White to off-white |
| Löslichkeit | It is soluble in water. |
| BRN | 104209 |
| InChI | InChI=1S/C4H8O4/c5-3-4(6)8-2-1-7-3/h3-6H,1-2H2 |
| InChIKey | YLVACWCCJCZITJ-UHFFFAOYSA-N |
| SMILES | O1CCOC(O)C1O |
| CAS Datenbank | 4845-50-5(CAS DataBase Reference) |
| EPA chemische Informationen | 1,4-Dioxane-2,3-diol (4845-50-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (89.4%): 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)Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (89.4%) |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2932990090 |
| R-Sätze (R) | 36-36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 22-24/25-36/37/39-26 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
1,4-Dioxane-2,3-diol is used as a pharmaceutical intermediate and an intermediate in organic synthesis.