HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 2801475Erstellt: 3. November 2026
4-(4-Butylphenyl)-4-oxobutanoic acid
4-Butyl-γ-oxobenzenebutanoic acid · 3-(4-Butylbenzoyl)-propionic acid · 3-(4-N-BUTYLBENZOYL)PROPIONIC ACID · 4-(4-butylphenyl)-4-oxobutanoic acid · Benzenebutanoic acid, 4-butyl-γ-oxo- · 4-(4-n-Butylphenyl)-4-oxobutyric acid · 4-[4-(1-BUTYL)PHENYL]-4-OXOBUTYRIC ACID
https://huagongshe.com/de/chemical/2801475
Identifikatoren & physikalische Daten
| CAS No. | 72271-71-7 |
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| Summenformel | C14H18O3 |
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| Durchschnittliche Molmasse | 234,29 g/mol |
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| Monoisotopische Masse | 234,12559443 g/mol |
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| SMILES | CCCCc1ccc(C(=O)CCC(=O)O)cc1 |
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| InChIKey | CQXSYJVVDLNUAJ-UHFFFAOYSA-N |
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| PubChem CID | 2801475 |
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| EC No. | 156-502-6 |
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| DTXSID | DTXSID20384258 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,5 |
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| Polarare Oberfläche (TPSA) | 54,4 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 7 |
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| Schwere Atome | 17 |
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| Formalladung | 0 |
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| Komplexität | 252 |
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| Schmelzpunkt | 109-111°C |
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| Siedepunkt | 418.7±38.0 °C(Predicted) |
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| Dichte | 1.092±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | 2-8°C |
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| pKa (Säurekonstante) | 4.57±0.17(Predicted) |
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| CAS Datenbank | 72271-71-7(CAS DataBase Reference) |
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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)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%) |
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| R-Sätze (R) | 36/37/38 |
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| Sicherheitshinweise (S) | 26-36/37/39 |
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