HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2',4'-Dihydroxyhexanophenon
1-(2,4-Dihydroxyphenyl)hexan-1-one · 4-HEXANOYLRESORCINOL · Bupivacaine Impurity 18 · 2',4'-DIHYDROXYHEXANOPHENONE · 2,4-Dihydroxyphenylpentyl ketone · 2,4-Dihydroxyphenyl(pentyl) ketone · 1-(2,4-DIHYDROXYPHENYL)-1-HEXANONE · 1-Hexanone, 1-(2,4-dihydroxyphenyl)-
Identifikatoren & physikalische Daten
| CAS No. | 3144-54-5 |
|---|---|
| Summenformel | C12H16O3 |
| Durchschnittliche Molmasse | 208,25 g/mol |
| Monoisotopische Masse | 208,10994437 g/mol |
| SMILES | CCCCCC(=O)c1ccc(O)cc1O |
| InChIKey | SKUFHZAEFGZSQK-UHFFFAOYSA-N |
| PubChem CID | 76596 |
| ChEMBL | CHEMBL1440045 |
| ChEBI | CHEBI:108115 |
| EC No. | 221-555-7 |
| DTXSID | DTXSID50871883 |
| Lokaler Name | 2',4'-Dihydroxyhexanophenon |
Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 57,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 203 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Schmelzpunkt | 53-56 °C(lit.) |
| Siedepunkt | 217 °C14 mm Hg(lit.) |
| Dichte | 1.0989 (rough estimate) |
| Brechungsindex | 1.5141 (estimate) |
| Flammpunkt | >230 °F |
| pKa (Säurekonstante) | 7.83±0.35(Predicted) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 2.6% (1 of 39) of reports.WarningH315 (97.4%): 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (97.4%) |
| Wassergefährdungsklasse (WGK) | 3 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
Anwendungen & Verwendung
Verwenden
1-(2,4-Dihydroxyphenyl)-1-hexanone is could be a useful compound for efficient depolymerization of alkaline lignin using a mesoporous solid base catalyst.