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5-Methoxysalicylaldehyd
5-METHOXYSALICYLALDEHYDE · 6-HY · Entacapone Impurity 64 · 6-hydroxy-m-anisaldehyd · 6-HYDROXY-3-ANISALDEHYDE · 2-Formyl-4-methoxyphenol · 6-HYDROXY-M-ANISALDEHYDE · 4-Hydroxy-3-formylanisole
Identifikatoren & physikalische Daten
| CAS No. | 672-13-9 |
|---|---|
| Summenformel | C8H8O3 |
| Durchschnittliche Molmasse | 152,15 g/mol |
| Monoisotopische Masse | 152,04734412 g/mol |
| SMILES | COc1ccc(O)c(C=O)c1 |
| InChIKey | FZHSPPYCNDYIKD-UHFFFAOYSA-N |
| PubChem CID | 95695 |
| ChEMBL | CHEMBL3660371 |
| ChEBI | CHEBI:137359 |
| EC No. | 211-589-0 |
| DTXSID | DTXSID40217478 |
| Lokaler Name | 5-Methoxysalicylaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 135 |
| Schmelzpunkt | 4 °C (lit.) |
| Siedepunkt | 103 °C/2.5 mmHg (lit.) |
| Dichte | 1.219 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.578(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Store below +30°C. |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 8.66±0.18(Predicted) |
| Farbe | Clear yellow |
| Löslichkeit | Miscible with chloroform. Slightly miscible with water. |
| BRN | 1100532 |
| InChI | 1S/C8H8O3/c1-11-7-2-3-8(10)6(4-7)5-9/h2-5,10H,1H3 |
| InChIKey | FZHSPPYCNDYIKD-UHFFFAOYSA-N |
| SMILES | [H]C(=O)c1cc(OC)ccc1O |
| LogP (Verteilungskoeffizient) | 1.520 (est) |
| CAS Datenbank | 672-13-9(CAS DataBase Reference) |
| NIST chemische Informationen | Benzaldehyde, 2-hydroxy-5-methoxy-(672-13-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): 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 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 10-23 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29124900 |
| RTECS-Nr. | BZ2800000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-24/25 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
2-Hydroxy-5-methoxybenzaldehyde is employed to study electroantennogram response of the vine weevil (Otiorhynchus sulcatus F) to a broad range of volatile plant compounds. It plays an important role in the preparation of tetradentate Schiff base compounds. Further, it is used in the preparation 6-methoxy-3-nitro-2H-chromene by using dibutylamine as a reagent.