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HCID 79020Erstellt: 26. Oktober 2026
Ethyl-2-methyl-4-oxocyclohex-2-encarboxylat
et · ethyl 2-methyl-4-oxocyclohex-2-ene-1-carboxylate · Hagemann's ester · NSC 60294 · Einecs 207-657-4 · 3-METHYL-2-CYCLOHEXEN-1-ON-4-CARBONSAEUR · 4-Carbethoxy-3-methyl-2-cyclohexen-1-one · 4-CARBOETHOXY-3-METHYL-2-CYCLOHEXEN-1-ONE
https://huagongshe.com/de/chemical/79020
Identifikatoren & physikalische Daten
| CAS No. | 487-51-4 |
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| Summenformel | C10H14O3 |
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| Durchschnittliche Molmasse | 182,22 g/mol |
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| Monoisotopische Masse | 182,09429431 g/mol |
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| SMILES | CCOC(=O)C1CCC(=O)C=C1C |
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| InChIKey | VLTANIMRIRCCOQ-UHFFFAOYSA-N |
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| PubChem CID | 79020 |
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| ChEMBL | CHEMBL84047 |
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| EC No. | 207-657-4 |
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| DTXSID | DTXSID801029631 |
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| Lokaler Name | Ethyl-2-methyl-4-oxocyclohex-2-encarboxylat |
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Chemische & physikalische Eigenschaften
| XLogP | 0,7 |
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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 | 3 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 253 |
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| Stoffklassen | Other Classes -> Esters, Other |
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| Physical Description | Clear dark yellow liquid[Sigma-Aldrich MSDS] |
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| Siedepunkt | 268-272 °C (lit.) |
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| Dichte | 1.078 g/mL at 25 °C (lit.) |
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| Brechungsindex | n20/D 1.488(lit.) |
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| Flammpunkt | >230 °F |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Aggregatzustand | liquid |
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| Wichte | 1.078 |
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| BRN | 1371741 |
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| InChI | 1S/C10H14O3/c1-3-13-10(12)9-5-4-8(11)6-7(9)2/h6,9H,3-5H2,1-2H3 |
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| InChIKey | VLTANIMRIRCCOQ-UHFFFAOYSA-N |
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| SMILES | CCOC(=O)C1CCC(=O)C=C1C |
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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 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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| Gefahrenübersicht | May cause irritation[Sigma-Aldrich MSDS] |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| F | 10-23 |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 2918300090 |
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| R-Sätze (R) | 20/21/22-42/43 |
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| Gefahrensymbole | Xn |
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| Sicherheitshinweise (S) | 23-24/25-36-22 |
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| Lagerklasse | 10 - Combustible liquids |
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