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HCID 86950Erstellt: 27. Oktober 2026
Ethyl-4,4-dimethyl-3-oxovalerat
ETHYL 4,4-DIMETHYL-3-OXOPENTANOATE · Ethyl Pivaloyacetate · ETHYL PIVALOYLACETATE · 4,4-Dimethyl-3-Oxovalerate · Ethyl pivaloylacetate ,98% · 4,4-dimethyl-3-oxoheptanoate · PIVALOYLACETIC ACID ETHYL ESTER · Ethyl4,4,4-trimethylacetoacetate
https://huagongshe.com/de/chemical/86950
Identifikatoren & physikalische Daten
| CAS No. | 17094-34-7 |
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| Summenformel | C9H16O3 |
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| Durchschnittliche Molmasse | 172,22 g/mol |
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| Monoisotopische Masse | 172,10994437 g/mol |
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| SMILES | CCOC(=O)CC(=O)C(C)(C)C |
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| InChIKey | VUYNTIDSHCJIKF-UHFFFAOYSA-N |
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| PubChem CID | 86950 |
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| EC No. | 241-162-4 |
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| DTXSID | DTXSID0066161 |
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| Lokaler Name | Ethyl-4,4-dimethyl-3-oxovalerat |
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Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
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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 | 5 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 177 |
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| SpringerMaterials Properties | Chemical shift |
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| Siedepunkt | 88-90 °C/10 mmHg (lit.) |
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| Dichte | 0.967 g/mL at 20 °C (lit.) |
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| Brechungsindex | n20/D 1.432 |
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| Flammpunkt | 78°C |
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| Lagerbedingungen | Store at -20°C |
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| pKa (Säurekonstante) | 10.80±0.46(Predicted) |
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| Aggregatzustand | clear liquid |
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| Farbe | Colorless to Light yellow |
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| BRN | 1767555 |
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| InChI | InChI=1S/C9H16O3/c1-5-12-8(11)6-7(10)9(2,3)4/h5-6H2,1-4H3 |
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| InChIKey | VUYNTIDSHCJIKF-UHFFFAOYSA-N |
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| SMILES | C(OCC)(=O)CC(=O)C(C)(C)C |
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| LogP (Verteilungskoeffizient) | 1.940 (est) |
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| CAS Datenbank | 17094-34-7(CAS DataBase Reference) |
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| EPA chemische Informationen | Ethyl 4,4,4-trimethylacetoacetate (17094-34-7) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH227 (100%): Combustible liquid [Warning Flammable liquids]P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 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 | Flam. Liq. 4 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| Zollcode | 29183000 |
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| Sicherheitshinweise (S) | 23-24/25 |
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| Lagerklasse | 10 - Combustible liquids |
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