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HCID 64813Erstellt: 26. Oktober 2026
3-(p-Methoxyphenyl)-2-methylpropionaldehyd
CANTHOXAL · Fennaldehyde · Canthoxa · PARAXONAL · 2-Anisylpropional · Paraxonal/Canthoxal · 2-(p-Anisyl)propanal · para-anisyl propanal
https://huagongshe.com/de/chemical/64813
Identifikatoren & physikalische Daten
| CAS No. | 5462-06-6 |
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| Summenformel | C11H14O2 |
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| Durchschnittliche Molmasse | 178,23 g/mol |
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| Monoisotopische Masse | 178,09937969 g/mol |
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| SMILES | COc1ccc(CC(C)C=O)cc1 |
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| InChIKey | VLFBSPUPYFTTNF-UHFFFAOYSA-N |
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| PubChem CID | 64813 |
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| EC No. | 226-749-5 |
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| DTXSID | DTXSID6044567 |
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| Lokaler Name | 3-(p-Methoxyphenyl)-2-methylpropionaldehyd |
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Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
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| Polarare Oberfläche (TPSA) | 26,3 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 4 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 148 |
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| Siedepunkt | 270.46°C (rough estimate) |
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| Dichte | 1.0292 (rough estimate) |
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| Dampfdruck | 0.3Pa at 24℃ |
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| Brechungsindex | 1.5103 (estimate) |
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| Geruch | at 100.00 %. sweet aniseed basil fennel raspberry green |
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| Geruchsart | anisic |
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| Löslichkeit | 1.086g/L at 24℃ |
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| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
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| LogP (Verteilungskoeffizient) | 2.3 at 25℃ |
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| EPA chemische Informationen | Benzenepropanal, 4-methoxy-.alpha.-methyl- (5462-06-6) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 0.2% (3 of 1748) of reports.WarningH317 (99.8%): May cause an allergic skin reaction [Warning Sensitization, Skin]H319 (73.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H412 (87.9%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P261, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1748 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 3 of 1748 reports by companies.There are 6 notifications provided by 1745 of 1748 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
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| Regulatorische Informationen | Chemical: Benzenepropanal, 4-methoxy-.alpha.-methyl-Status: Active Update: 04-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/194983-(4-Methoxyphenyl)-2-methylpropanal: Does not have an individual approval but may be used under an appropriate group standard |
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| Hazard Classes and Categories | Skin Sens. 1 (99.8%)Eye Irrit. 2 (73.8%)Aquatic Chronic 3 (87.9%) |
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| TSCA-Inventar-Status | TSCA listed |
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