HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2,4-Dihydroxy-3-methylbenzaldehyd
Einecs 228-369-5 · 2,4-Dihydroxy-3-meth · 4-Formyl-2-methylresorcinol · 4-Dihydroxy-3-methylbenzaldehyde · 2,4-Dihydroxy-3-methylbenzaldehyd · 4-Hydroxy-3-methylsalicylaldehyde · 3-methyl-2,4-dihydroxybenzaldehyde · 2,4-dihydroxy-3-methylbenzaldehyde
Identifikatoren & physikalische Daten
| CAS No. | 6248-20-0 |
|---|---|
| Summenformel | C8H8O3 |
| Durchschnittliche Molmasse | 152,15 g/mol |
| Monoisotopische Masse | 152,04734412 g/mol |
| SMILES | Cc1c(O)ccc(C=O)c1O |
| InChIKey | AOPMHYFEQDBXPZ-UHFFFAOYSA-N |
| PubChem CID | 80395 |
| EC No. | 228-369-5 |
| DTXSID | DTXSID6064161 |
| Lokaler Name | 2,4-Dihydroxy-3-methylbenzaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 57,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 146 |
| Duftstoffe | Fragrance substance (2,4-Dihydroxy-3-methylbenzaldehyde) -> IFRA amendment 40 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Schmelzpunkt | 150 °C |
| Siedepunkt | 345.7±12.0 °C(Predicted) |
| Dichte | 1.331±0.06 g/cm3(Predicted) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 7.93±0.23(Predicted) |
| Farbe | Light Orange to Light Red |
| InChI | InChI=1S/C8H8O3/c1-5-7(10)3-2-6(4-9)8(5)11/h2-4,10-11H,1H3 |
| InChIKey | AOPMHYFEQDBXPZ-UHFFFAOYSA-N |
| SMILES | C(=O)C1=CC=C(O)C(C)=C1O |
| LogP (Verteilungskoeffizient) | 1.727 (est) |
| EPA chemische Informationen | Benzaldehyde, 2,4-dihydroxy-3-methyl- (6248-20-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.WarningH302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzaldehyde, 2,4-dihydroxy-3-methyl-Benzaldehyde, 2,4-dihydroxy-3-methyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
| Hazard Classes and Categories | Acute Tox. 4 (33.3%) |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29124990 |
| Sicherheitshinweise (S) | 24/25 |
Anwendungen & Verwendung
Verwenden
4-Formyl-2-methylresorcinol is a reactant in the synthesis of 3-benzo[b]thiophenecoumarin, with potent anti-proliferative activity against breast cancer cell lines