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HCID 76150Erstellt: 26. Oktober 2026
Ethyl-p-anisoylacetat
MOBEE · AKOS 228-23 · BUTTPARK 18\10-44 · ETHYL P-ANISOYLACETATE · ETHYL 4-METHOXYBENZOYLACETATE · Ethyl p-methoxybenzoyl acetate · Ethyl4-Methoxybenzoylacetate>P-ANISOYLACETIC ACID ETHYL ESTER · Acetic acid, p-anisoyl-, ethyl ester
https://huagongshe.com/de/chemical/76150
Identifikatoren & physikalische Daten
| CAS No. | 2881-83-6 |
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| Summenformel | C12H14O4 |
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| Durchschnittliche Molmasse | 222,24 g/mol |
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| Monoisotopische Masse | 222,08920893 g/mol |
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| SMILES | CCOC(=O)CC(=O)c1ccc(OC)cc1 |
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| InChIKey | KRAHENMBSVAAHD-UHFFFAOYSA-N |
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| PubChem CID | 76150 |
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| ChEMBL | CHEMBL5273715 |
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| EC No. | 220-733-1 |
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| DTXSID | DTXSID5062683 |
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| Lokaler Name | Ethyl-p-anisoylacetat |
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Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
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| Polarare Oberfläche (TPSA) | 52,6 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 6 |
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| Schwere Atome | 16 |
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| Formalladung | 0 |
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| Komplexität | 241 |
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| Siedepunkt | 154 °C1 hPa(lit.) |
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| Dichte | 1.160 g/mL at 20 °C(lit.) |
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| Brechungsindex | 1.5410 to 1.5460 |
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| Flammpunkt | 115°C |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Löslichkeit | H2O: soluble |
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| Aggregatzustand | clear liquid |
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| pKa (Säurekonstante) | 10.34±0.25(Predicted) |
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| Farbe | Light yellow to Yellow to Orange |
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| InChI | InChI=1S/C12H14O4/c1-3-16-12(14)8-11(13)9-4-6-10(15-2)7-5-9/h4-7H,3,8H2,1-2H3 |
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| InChIKey | KRAHENMBSVAAHD-UHFFFAOYSA-N |
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| SMILES | C1(=CC=C(OC)C=C1)C(=O)CC(=O)OCC |
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| CAS Datenbank | 2881-83-6(CAS DataBase Reference) |
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| EPA chemische Informationen | Benzenepropanoic acid, 4-methoxy-.beta.-oxo-, ethyl ester (2881-83-6) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 92.9% (13 of 14) of all reports.Not ClassifiedAggregated GHS information provided per 14 reports by companies from 2 notifications to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Not Classified |
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| Wassergefährdungsklasse (WGK) | 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| Zollcode | 2918.99.4700 |
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| R-Sätze (R) | 36/37/38 |
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| Sicherheitshinweise (S) | 26-36/37/39 |
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