HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Ketocarbofuran phenol
3-ketocarbofuranphenol · Paracetamol Impurity 34 · CARBOFURANPHENOL-3-KETO, 50MG, NEAT · 7-Hydroxy-2,2-dimethylbenzofuran-3-one · 2,2-Dimethyl-7-hydroxybenzofuran-3(2H)-one · 7-Hydroxy-2,2-dimethylbenzofuran-3(2H)-one · 7-HYDROXY-2,2-DIMETHYL-3(2H)-BENZOFURANONE) · 3(2H)-Benzofuranone, 7-hydroxy-2,2-dimethyl-
Identifikatoren & physikalische Daten
| CAS No. | 17781-16-7 |
|---|---|
| Summenformel | C10H10O3 |
| Durchschnittliche Molmasse | 178,18 g/mol |
| Monoisotopische Masse | 178,06299418 g/mol |
| SMILES | CC1(C)Oc2c(O)cccc2C1=O |
| InChIKey | XLZCZWCXCBPEJR-UHFFFAOYSA-N |
| PubChem CID | 87303 |
| EC No. | 621-939-8 |
| DTXSID | DTXSID1041556 |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 234 |
| SpringerMaterials Properties | Fusion temperature |
| LogP (Verteilungskoeffizient) | 1.87 |
| Siedepunkt | 314.5±42.0 °C(Predicted) |
| Dichte | 1.246±0.06 g/cm3(Predicted) |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 8.44±0.40(Predicted) |
| Farbe | White to Off-White |
| NIST chemische Informationen | 3(2H)-benzofuranone, 7-hydroxy-2,2-dimethyl-(17781-16-7) |
| EPA chemische Informationen | 7-Hydroxy-2,2-dimethylbenzofuran-3-one (17781-16-7) |
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)Aggregated GHS information provided per 70 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| UN-Transportnummer | 2757 |
| R-Sätze (R) | 36/37/38-51/53 |
| Gefahrensymbole | Xi,N |
| Sicherheitshinweise (S) | 26-36/37-61 |
| Gefahrenklasse | 6.1(b) |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
Carbofuranphenol-3-keto can be used in biological study of comparison of free and bound aroma compounds in peel and seed kernel of Rosa roxburghii Tratt.