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Benzoic acid, 3,4,5-tris(acetyloxy)-
RARECHEM AL BE 0488 · GALLIC ACID TRIACETATE · 3,4,5-TRIACETOXYBENZOIC ACID · 3,4,5-TRIACETOXYBENZOIC ACID 97% · 3,4,5-Tris(acetyloxy)benzoic acid · Benzoic acid,3,4,5-tris(acetyloxy)-
Identifikatoren & physikalische Daten
| CAS No. | 6635-24-1 |
|---|---|
| Summenformel | C13H12O8 |
| Durchschnittliche Molmasse | 296,23 g/mol |
| Monoisotopische Masse | 296,05321734 g/mol |
| SMILES | CC(=O)Oc1cc(C(=O)O)cc(OC(C)=O)c1OC(C)=O |
| InChIKey | BJCGLAAQSUGMKB-UHFFFAOYSA-N |
| PubChem CID | 95088 |
| ChEMBL | CHEMBL505054 |
| EC No. | 886-165-7 |
| DTXSID | DTXSID40216562 |
Chemische & physikalische Eigenschaften
| XLogP | 0,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 116 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 8 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 21 |
| Formalladung | 0 |
| Komplexität | 417 |
| Schmelzpunkt | 171-172 °C |
| Siedepunkt | 468.3±45.0 °C(Predicted) |
| Dichte | 1.378±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 3.53±0.10(Predicted) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (66.7%): 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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (66.7%) |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
Anwendungen & Verwendung
Verwenden
3,4,5-tris(Acetyloxy)benzoic Acid is used in the preparation of Gallic Acid(G188978) which is a number of cellular effects including apoptosis and inhibits the growth of calf pulmonary arterial endothelial cell (CPAEC);Also, it is a polyphenol widely found in numerous fruits and vegetables that has been reported to exert anticancer effects, including apoptosis, against cancer cell lines.