HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 225855Erstellt: 26. Oktober 2026
Ethyl 3-oxo-4-phenylbutanoate
ethyl 3-oxo-4-phenylbutanoate · 3-OXO-4-PHENYL-BUTYRIC ACID ETHYL ESTER · Ethyl 4-phenylacetoacetate · Ethyl 4-phenylacet · BMK/PMK Oil and Powder · Ethyl 3-Oxo-4-phenylbutyrate · ethyl 3-oxo-4-phenyl-butanoate · Ethyl 3-oxo-4-phenyl-butyric acid
https://huagongshe.com/de/chemical/225855
Identifikatoren & physikalische Daten
| CAS No. | 718-08-1 |
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| Summenformel | C12H14O3 |
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| Durchschnittliche Molmasse | 206,24 g/mol |
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| Monoisotopische Masse | 206,0942943 g/mol |
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| SMILES | CCOC(=O)CC(=O)Cc1ccccc1 |
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| InChIKey | BOZNWXQZCYZCSH-UHFFFAOYSA-N |
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| PubChem CID | 225855 |
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| EC No. | 829-173-8 |
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| DTXSID | DTXSID40280147 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
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| Polarare Oberfläche (TPSA) | 43,4 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 6 |
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| Schwere Atome | 15 |
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| Formalladung | 0 |
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| Komplexität | 217 |
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| Siedepunkt | 290℃ |
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| Dichte | 1.091 |
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| Brechungsindex | 1.054-1.059 |
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| Flammpunkt | 124℃ |
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| Lagerbedingungen | Inert atmosphere,Room Temperature |
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| Löslichkeit | Chloroform (Slightly), DMSO (Slightly), Methanol (Sparingly) |
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| Aggregatzustand | Oil |
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| pKa (Säurekonstante) | 10.49±0.46(Predicted) |
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| Farbe | Colourless to Light Yellow |
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| InChI | InChI=1S/C12H14O3/c1-2-15-12(14)9-11(13)8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3 |
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| InChIKey | BOZNWXQZCYZCSH-UHFFFAOYSA-N |
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| SMILES | C1(C=CC=CC=1)CC(=O)CC(=O)OCC |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (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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