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HCID 90877Erstellt: 27. Oktober 2026
Ethyl-2,6,6-trimethyl-4-oxocyclohex-2-en-1-carboxylat
Einecs 245-410-2 · ethyl 2,6,6-trimethyl-4-oxocyclohex-2-ene-1-carboxylate · 2,6,6-Trimethyl-4-oxo-2-cyclohexene-1-carboxylic acid ethyl ester · 2-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-4-oxo-, ethyl ester
https://huagongshe.com/de/chemical/90877
Identifikatoren & physikalische Daten
| CAS No. | 23068-96-4 |
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| Summenformel | C12H18O3 |
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| Durchschnittliche Molmasse | 210,27 g/mol |
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| Monoisotopische Masse | 210,12559444 g/mol |
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| SMILES | CCOC(=O)C1C(C)=CC(=O)CC1(C)C |
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| InChIKey | ZJFLUTUHAQHFCA-UHFFFAOYSA-N |
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| PubChem CID | 90877 |
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| EC No. | 245-410-2 |
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| DTXSID | DTXSID20945747 |
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| Lokaler Name | Ethyl-2,6,6-trimethyl-4-oxocyclohex-2-en-1-carboxylat |
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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 | 3 |
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| Schwere Atome | 15 |
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| Formalladung | 0 |
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| Komplexität | 313 |
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| Siedepunkt | 137 °C(Press: 10 Torr) |
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| Dichte | 1.016±0.06 g/cm3(Predicted) |
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| Dampfdruck | 0.2Pa at 20℃ |
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| Aggregatzustand | Liquid |
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| LogP (Verteilungskoeffizient) | 1.9 at 35℃ and pH7 |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.Not ClassifiedAggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. |
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| Regulatorische Informationen | Chemical: 2-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-4-oxo-, ethyl esterStatus: Active Update: 19-12-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/18718 |
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| Hazard Classes and Categories | Not Classified |
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