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4-Methoxysalicylaldehyd
4-METHOXYSALICYLALDEHYDE · 4-Mthoxysalicylaldehyde · Benzaldehyde, 2-hydroxy-4-methoxy- · AKOS 222-39 · 2-Hydroxy-4-methoxyb · 2-Hydroxyanisaldehyde · Entacapone Impurity 65 · 2-hydroxy-p-anisaldehyd
Identifikatoren & physikalische Daten
| CAS No. | 673-22-3 |
|---|---|
| Summenformel | C8H8O3 |
| Durchschnittliche Molmasse | 152,15 g/mol |
| Monoisotopische Masse | 152,04734412 g/mol |
| SMILES | COc1ccc(C=O)c(O)c1 |
| InChIKey | WZUODJNEIXSNEU-UHFFFAOYSA-N |
| PubChem CID | 69600 |
| ChEMBL | CHEMBL350966 |
| ChEBI | CHEBI:183274 |
| EC No. | 211-604-0 |
| DTXSID | DTXSID1060970 |
| Lokaler Name | 4-Methoxysalicylaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 135 |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 1.2311.2143 (rough estimate) |
| Löslichkeit | Slightly solubleSoluble (in ethanol)DMF: 30 mg/mlDMSO: 30 mg/mlEthanol: 30 mg/mlSolubility in methanol is almost transparent. Insoluble in water. |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Siedepunkt | 271-274 °CC124 °C / 12mmHg |
| Physical Description | White or yellow to beige crystal |
| Schmelzpunkt | 41-43 °C (lit.) |
| Brechungsindex | 1.4447 (estimate) |
| FEMA | 4435 | 2-HYDROXY-4-METHOXYBENZALDEHYDE |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Store below +30°C. |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | 7.79±0.10(Predicted) |
| Farbe | Creamy white to beige or light brown |
| Geruch | at 100.00 %. vanillin like |
| Geruchsart | vanilla |
| JECFA Number | 2277 |
| BRN | 1072443 |
| InChI | 1S/C8H8O3/c1-11-7-3-2-6(5-9)8(10)4-7/h2-5,10H,1H3 |
| InChIKey | WZUODJNEIXSNEU-UHFFFAOYSA-N |
| SMILES | [H]C(=O)c1ccc(OC)cc1O |
| LogP (Verteilungskoeffizient) | 1.79 |
| CAS Datenbank | 673-22-3(CAS DataBase Reference) |
| NIST chemische Informationen | Benzaldehyde, 2-hydroxy-4-methoxy-(673-22-3) |
| EPA chemische Informationen | Benzaldehyde, 2-hydroxy-4-methoxy- (673-22-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 10.5% (6 of 57) of reports.WarningH315 (89.5%): 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 57 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 01-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23928 |
| Hazard Classes and Categories | Skin Irrit. 2 (89.5%) |
| F | 10 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29124900 |
| RTECS-Nr. | BZ2810000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36-24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2-Hydroxy-4-methoxybenzaldehyde was used in the synthesis of Schiff base ligand.