HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Ethoxy-m-anissure
AKOS 214-34 · Einecs 222-567-5 · RARECHEM AL BE 0255 · 4-ethoxy-m-anisic acid · 4-ethoxy-3-methoxybenzoate · 4-Ethoxy-3-methoxy-benzoic acid · benzoic acid, 4-ethoxy-3-methoxy- · 4-ethoxy-3-methoxybenzoic acid(SALTDATA: FREE)
Identifikatoren & physikalische Daten
| CAS No. | 3535-30-6 |
|---|---|
| Summenformel | C10H12O4 |
| Durchschnittliche Molmasse | 196,2 g/mol |
| Monoisotopische Masse | 196,07355886 g/mol |
| SMILES | CCOc1ccc(C(=O)O)cc1OC |
| InChIKey | LBYKODYNFRCBIR-UHFFFAOYSA-N |
| PubChem CID | 77069 |
| ChEMBL | CHEMBL1363623 |
| EC No. | 222-567-5 |
| DTXSID | DTXSID20188839 |
| Lokaler Name | 4-Ethoxy-m-anissure |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 55,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 193 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Schmelzpunkt | 195-196 °C |
| Siedepunkt | 316.4±22.0 °C(Predicted) |
| Dichte | 1.178±0.06 g/cm3(Predicted) |
| pKa (Säurekonstante) | 4.37±0.10(Predicted) |
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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Zollcode | 2918999090 |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
4-Ethoxy-3-methoxybenzoic acid