HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 75679Erstellt: 26. Oktober 2026
4-Ethoxy-3-hydroxybenzaldehyd
Benzaldehyde, 4-ethoxy-3-hydroxy- · ethyl isovanilline · 3-Hydroxy-4-Ethoxy-Benzaldehyde
https://huagongshe.com/de/chemical/75679
Identifikatoren & physikalische Daten
| CAS No. | 2539-53-9 |
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| Summenformel | C9H10O3 |
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| Durchschnittliche Molmasse | 166,17 g/mol |
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| Monoisotopische Masse | 166,06299418 g/mol |
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| SMILES | CCOc1ccc(C=O)cc1O |
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| InChIKey | BCLVKHGKEGFPJV-UHFFFAOYSA-N |
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| PubChem CID | 75679 |
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| EC No. | 219-812-3 |
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| DTXSID | DTXSID0062505 |
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| Lokaler Name | 4-Ethoxy-3-hydroxybenzaldehyd |
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Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
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| Polarare Oberfläche (TPSA) | 46,5 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 147 |
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| Schmelzpunkt | 125 °C |
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| Siedepunkt | 178°C (estimate) |
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| Dichte | 1.1097 (rough estimate) |
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| Brechungsindex | 1.4371 (estimate) |
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| pKa (Säurekonstante) | 9.38±0.10(Predicted) |
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| LogP (Verteilungskoeffizient) | 1.759 (est) |
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| CAS Datenbank | 2539-53-9 |
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| EPA chemische Informationen | Benzaldehyde, 4-ethoxy-3-hydroxy- (2539-53-9) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%) |
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| TSCA-Inventar-Status | TSCA listed |
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| Zollcode | 2914500090 |
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