HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 79676Erstellt: 27. Oktober 2026
2,2-Diphenylpropionsure
TIMTEC-BB SBB000663 · RARECHEM AL BO 0075 · 2,2-diphenylpropanoate · 2,2-DiphenylpropionicAci · 2,2-DIPHENYLPROPIONIC ACID · 2,2-Diphenylpropanoic acid · 2,2-DiphenylpropionicAcid>2,2-Diphenylpropionic acid,97% · ALPHA,ALPHA-DIPHENYLPROPIONIC ACID
https://huagongshe.com/de/chemical/79676
Identifikatoren & physikalische Daten
| CAS No. | 5558-66-7 |
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| Summenformel | C15H14O2 |
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| Durchschnittliche Molmasse | 226,27 g/mol |
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| Monoisotopische Masse | 226,09937969 g/mol |
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| SMILES | CC(C(=O)O)(c1ccccc1)c1ccccc1 |
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| InChIKey | ODELFXJUOVNEFZ-UHFFFAOYSA-N |
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| PubChem CID | 79676 |
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| EC No. | 226-924-6 |
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| DTXSID | DTXSID40204126 |
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| Lokaler Name | 2,2-Diphenylpropionsure |
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Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
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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 | 3 |
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| Schwere Atome | 17 |
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| Formalladung | 0 |
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| Komplexität | 242 |
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| LogP (Verteilungskoeffizient) | 2.69 |
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| Schmelzpunkt | 172-175 °C (lit.) |
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| Siedepunkt | 300 °C (lit.) |
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| Dichte | 1.0891 (rough estimate) |
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| Brechungsindex | 1.6530 (estimate) |
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| Lagerbedingungen | Store at room temperature |
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| pKa (Säurekonstante) | 4.78±0.10(Predicted) |
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| Aggregatzustand | powder to crystal |
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| Farbe | White to Almost white |
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| InChI | 1S/C15H14O2/c1-15(14(16)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H,16,17) |
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| InChIKey | ODELFXJUOVNEFZ-UHFFFAOYSA-N |
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| SMILES | CC(C(O)=O)(c1ccccc1)c2ccccc2 |
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| CAS Datenbank | 5558-66-7(CAS DataBase Reference) |
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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)Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 29163990 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-36 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
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