HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Ethoxy-3-methoxybenzaldehyd
4-ETHOXY-3-ANISALDEHYDE · VANILLIN ETHYL ETHER · AKOS B028863 · ASISCHEM N42243 · 4-Ethoxyvanillin · 4-O-Ethylvanillin · AKOS BBS-00003242 · 4-Ethoxy-3-methoxybe
Identifikatoren & physikalische Daten
| CAS No. | 120-25-2 |
|---|---|
| Summenformel | C10H12O3 |
| Durchschnittliche Molmasse | 180,2 g/mol |
| Monoisotopische Masse | 180,07864424 g/mol |
| SMILES | CCOc1ccc(C=O)cc1OC |
| InChIKey | BERFDQAMXIBOHM-UHFFFAOYSA-N |
| PubChem CID | 67116 |
| ChEBI | CHEBI:173856 |
| EC No. | 204-382-1 |
| DTXSID | DTXSID3059509 |
| Lokaler Name | 4-Ethoxy-3-methoxybenzaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 158 |
| LogP (Verteilungskoeffizient) | 1.63 |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | 1.16 mg/mL at 25 °Cslightly soluble |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Siedepunkt | 288.00 to 289.00 °C. @ 760.00 mm Hg168 °C |
| Schmelzpunkt | 64 - 65 °C50-53 °C (lit.) |
| Physical Description | Solid |
| Dichte | 1.1272 (rough estimate) |
| Brechungsindex | 1.5224 (estimate) |
| Flammpunkt | 110 °C |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Aggregatzustand | Fine Crystalline Powder |
| Farbe | Yellow |
| Geruch | at 100.00 %. sweet floral vanilla powdery |
| Geruchsart | vanilla |
| BRN | 391169 |
| InChI | 1S/C10H12O3/c1-3-13-9-5-4-8(7-11)6-10(9)12-2/h4-7H,3H2,1-2H3 |
| InChIKey | BERFDQAMXIBOHM-UHFFFAOYSA-N |
| SMILES | CCOc1ccc(C=O)cc1OC |
| LogP (Verteilungskoeffizient) | 1.630 |
| CAS Datenbank | 120-25-2(CAS DataBase Reference) |
| NIST chemische Informationen | 4-Ethoxy-3-anisaldehyde(120-25-2) |
| EPA chemische Informationen | Benzaldehyde, 4-ethoxy-3-methoxy- (120-25-2) |
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. |
|---|---|
| Regulatorische Informationen | Chemical: Benzaldehyde, 4-ethoxy-3-methoxy-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Benzaldehyde, 4-ethoxy-3-methoxy-: 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 | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29124900 |
| Sicherheitshinweise (S) | 24/25 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 13 - Non Combustible Solids |
Anwendungen & Verwendung
Verwenden
Intermediate.