HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4H-pyran-4-on
4-Pyrone · Pyrocoman · PYRAN-4-ONE · GAMMA-PYRONE · 4H-PYRAN-4-ONE · 4H-Pyran, 4-oxo- · 4H-Pyran-4-one>4H-PYRAN-4-ONE, 98+% · GAMMA-PYRONE, 4-PYRONE
Identifikatoren & physikalische Daten
| CAS No. | 108-97-4 |
|---|---|
| Summenformel | C5H4O2 |
| Durchschnittliche Molmasse | 96,08 g/mol |
| Monoisotopische Masse | 96,02112937 g/mol |
| SMILES | O=c1ccocc1 |
| InChIKey | CVQUWLDCFXOXEN-UHFFFAOYSA-N |
| PubChem CID | 7968 |
| ChEBI | CHEBI:37966 |
| EC No. | 203-634-8 |
| DTXSID | DTXSID20148352 |
| Lokaler Name | 4H-pyran-4-on |
Chemische & physikalische Eigenschaften
| XLogP | 0,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 119 |
| SpringerMaterials Properties | Coriolis coupling |
| Schmelzpunkt | 32-34 °C(lit.) |
| Siedepunkt | 210-215 °C(lit.) |
| Dichte | 1.20 |
| Brechungsindex | 1.5238 |
| Flammpunkt | 214 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Slightly soluble in water, soluble in alcohol and oils. |
| Aggregatzustand | clear liquid |
| Farbe | Light yellow to Brown |
| Geruch | Warm, slight ly pungent, hay-like herbaceous odor of moderate to poor tenacity. |
| BRN | 105293 |
| Stabilität | Polymerizes under exposure to air (oxygen) and alkali. Turns darker brown, and its odor fades. |
| InChI | 1S/C5H4O2/c6-5-1-3-7-4-2-5/h1-4H |
| InChIKey | CVQUWLDCFXOXEN-UHFFFAOYSA-N |
| SMILES | O=C1C=COC=C1 |
| LogP (Verteilungskoeffizient) | -0.628 (est) |
| CAS Datenbank | 108-97-4 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 3-8-10 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2932.99.9090 |
| Sicherheitshinweise (S) | 22-24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4H-Pyran-4-one was used in the synthesis of probes grafted on the lipid headgroups.
Herstellung & Synthese
synthetische
1) from Diethylacetone dioxalate by cyclization to Chelidonic acid (gamma-Pyrone- 2,6-dicarboxylic acid). The acid yields 4H-Pyran-4-one by decarboxylation.2) by heating of I-Methoxypent-l -en-3-yn-5- al diethylacetal with Methanol and water, using Mercuric sulfate or Sulfuric acid catalyst.