HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4H-Pyran-4-one, 5-hydroxy-2-methyl-
4H-Pyran-4-one, 5-hydroxy-2-methyl- · NSC 166902 · Allo Maltol · Kojic Impurity 2 · α-Deoxykojic Acid · Iron ketone impurity 09 · 5-Hydroxy-2-Methyl-γ-pyrone · 3-Hydroxy-6-Methyl-4-pyrone
Identifikatoren & physikalische Daten
| CAS No. | 644-46-2 |
|---|---|
| Summenformel | C6H6O3 |
| Durchschnittliche Molmasse | 126,11 g/mol |
| Monoisotopische Masse | 126,03169405 g/mol |
| SMILES | Cc1cc(=O)c(O)co1 |
| InChIKey | IQXWFHDFTAZGNB-UHFFFAOYSA-N |
| PubChem CID | 69521 |
| ChEMBL | CHEMBL119083 |
| EC No. | 839-967-6 |
| DTXSID | DTXSID70214652 |
Chemische & physikalische Eigenschaften
| XLogP | 0,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 200 |
| Schmelzpunkt | 166 °C |
| Siedepunkt | 285.5±40.0 °C(Predicted) |
| Dichte | 1.348±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Refrigerator |
| Löslichkeit | Acetone (Slightly), DMSO (Sparingly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 8.32±0.10(Predicted) |
| Farbe | Off-White to Pale Yellow |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| R-Sätze (R) | 22 |
| Gefahrensymbole | Xn |
Anwendungen & Verwendung
Verwenden
The esters of 5-hydroxy-2-methyl-4H-pyran-4-one