HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 77902Erstellt: 27. Oktober 2026
2,2-Diphenylbuttersure
ZFTRKIIOOVMXCS-UHFFFAOYSA-N · 2,2-di(phenyl)butanoic acid · α-Ethyl-α-phenylbenzeneacetic acid · Benzeneacetic acid, α-ethyl-α-phenyl-
https://huagongshe.com/de/chemical/77902
Identifikatoren & physikalische Daten
| CAS No. | 4226-57-7 |
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| Summenformel | C16H16O2 |
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| Durchschnittliche Molmasse | 240,3 g/mol |
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| Monoisotopische Masse | 240,11502975 g/mol |
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| SMILES | CCC(C(=O)O)(c1ccccc1)c1ccccc1 |
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| InChIKey | ZFTRKIIOOVMXCS-UHFFFAOYSA-N |
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| PubChem CID | 77902 |
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| EC No. | 224-177-0 |
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| DTXSID | DTXSID90195095 |
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| Lokaler Name | 2,2-Diphenylbuttersure |
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Chemische & physikalische Eigenschaften
| XLogP | 3,8 |
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| Polarare Oberfläche (TPSA) | 37,3 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 4 |
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| Schwere Atome | 18 |
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| Formalladung | 0 |
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| Komplexität | 255 |
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| Endocrine Disruptors | Potential endocrine disrupting compound |
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| Schmelzpunkt | 172-173.5 °C |
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| Siedepunkt | 316.6±9.0 °C(Predicted) |
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| Dichte | 1.123±0.06 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 4.78±0.10(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]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)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| Alarmwort | Warnung |
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| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
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