HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1,2,3-Benzenetriol, 5-methyl-
Methylpyrogallol · 5-Methylpyrogallol · 5-Methylpyrogallol >3,4,5-TRIHYDROXYTOLUENE · 5-Methylbenzene-1,2,3-triol · 5-Methyl-1,2,3-benzenetriol · 1,2,3-Benzenetriol, 5-methyl-
Identifikatoren & physikalische Daten
| CAS No. | 609-25-6 |
|---|---|
| Summenformel | C7H8O3 |
| Durchschnittliche Molmasse | 140,14 g/mol |
| Monoisotopische Masse | 140,04734412 g/mol |
| SMILES | Cc1cc(O)c(O)c(O)c1 |
| InChIKey | NYUABOGYMWADSF-UHFFFAOYSA-N |
| PubChem CID | 587790 |
| ChEMBL | CHEMBL374735 |
| EC No. | 678-408-9 |
| DTXSID | DTXSID60209734 |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 60,7 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 103 |
| Schmelzpunkt | 125 °C |
| Siedepunkt | 216.62°C (rough estimate) |
| Dichte | 1.2127 (rough estimate) |
| Brechungsindex | 1.4638 (estimate) |
| pKa (Säurekonstante) | 9.40±0.15(Predicted) |
| Aggregatzustand | powder to crystal |
| Farbe | White to Brown to Dark purple |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH317 (97.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, 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 Sens. 1 (97.4%) |
| Zollcode | 2907.29.9000 |
Anwendungen & Verwendung
Verwenden
5-Methylpyrogallol has been used in studies such as glyoxalase 1-inhibition activity, and the mechanism of the xanthine oxidase (XO) inhibitory activity of pyrogallol as it is a compound closely related in structure to pyrogallol.