HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Hydroxy-4H-pyran-4-on
Pyromeconic acid · 3-Hydroxy-4-pyrone · PyrocoMenic acid · 3-Hydroxy-γ-pyrone · Kojic Impurity 10 · (S)-Propargylglycine · 3-hydroxypyran-4-one · Avobenzone Impurity 3
Identifikatoren & physikalische Daten
| CAS No. | 496-63-9 |
|---|---|
| Summenformel | C5H4O3 |
| Durchschnittliche Molmasse | 112,08 g/mol |
| Monoisotopische Masse | 112,01604399 g/mol |
| SMILES | O=c1ccocc1O |
| InChIKey | VEYIMQVTPXPUHA-UHFFFAOYSA-N |
| PubChem CID | 68129 |
| ChEMBL | CHEMBL79857 |
| EC No. | 207-823-6 |
| DTXSID | DTXSID7060091 |
| Lokaler Name | 3-Hydroxy-4H-pyran-4-on |
Chemische & physikalische Eigenschaften
| XLogP | 0 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 167 |
| Kovats Retention Index | 1131 |
| Schmelzpunkt | 117-118°C |
| Siedepunkt | 298.7±40.0 °C(Predicted) |
| Dichte | 1.483±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Store in freezer, under -20°C |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 8.16±0.10(Predicted) |
| Farbe | White to Beige |
| InChI | InChI=1S/C5H4O3/c6-4-1-2-8-3-5(4)7/h1-3,7H |
| InChIKey | VEYIMQVTPXPUHA-UHFFFAOYSA-N |
| SMILES | C1OC=CC(=O)C=1O |
| EPA chemische Informationen | 4H-Pyran-4-one, 3-hydroxy- (496-63-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%) |
| TSCA-Inventar-Status | TSCA listed |
Anwendungen & Verwendung
Verwenden
Pyromeconic acid is an important intermediate of synthesizing maltoland its homologous.