HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 79413Erstellt: 3. November 2026
4-Phenylbutyrophenon
1,4-diphenylbutan-1-one · 4-BUTYRYLBIPHENYL · TIMTEC-BB SBB005766 · 1,4-DIPHENYL-1-BUTANONE · gamma-Phenylbutyrophenone · 1-Butanone, 1,4-diphenyl- · 1,4-Diphenyl-1-butanone,98% · (3-Phenylpropyl)phenyl ketone
https://huagongshe.com/de/chemical/79413
Identifikatoren & physikalische Daten
| CAS No. | 5407-91-0 |
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| Summenformel | C16H16O |
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| Durchschnittliche Molmasse | 224,3 g/mol |
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| Monoisotopische Masse | 224,12011513 g/mol |
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| SMILES | O=C(CCCc1ccccc1)c1ccccc1 |
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| InChIKey | GBUMEGLMTNAXOM-UHFFFAOYSA-N |
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| PubChem CID | 79413 |
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| ChEMBL | CHEMBL1497694 |
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| EC No. | 226-471-4 |
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| DTXSID | DTXSID00202401 |
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| Lokaler Name | 4-Phenylbutyrophenon |
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Chemische & physikalische Eigenschaften
| XLogP | 4,1 |
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| Polarare Oberfläche (TPSA) | 17,1 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 1 |
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| Frei drehbare Bindungen | 5 |
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| Schwere Atome | 17 |
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| Formalladung | 0 |
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| Komplexität | 222 |
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| Schmelzpunkt | 55 °C |
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| Siedepunkt | 180°C 8mm |
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| Dichte | 1.0154 (rough estimate) |
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| Brechungsindex | 1.5488 (estimate) |
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| Flammpunkt | 180°C/8mm |
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| Aggregatzustand | Powder |
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| Farbe | White to slightly yellow |
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Sicherheit & Vorschriften
| GHS-Einstufung | H411 (97.5%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P273, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Aquatic Chronic 2 (97.5%) |
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| UN-Transportnummer | UN3077 |
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| Zollcode | 29143900 |
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| Sicherheitshinweise (S) | 22-24/25 |
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| Gefahrenklasse | 9 |
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