HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 100968Erstellt: 3. November 2026
Ethyl-2-methyl-4-oxo-6-pentylcyclohex-2-en-1-carboxylat
CALYXOL · Einecs 261-629-6 · autumn carboxylate · ethyl 2-methyl-4-oxo-6-pentylcyclohex-2-enecarboxylate · ETHYL-2-METHYL-6-PENTYL-4-OXOCYCLOHEX-2-ENE CARBOXYLATE · ethyl 2-methyl-4-oxo-6-pentylcyclohex-2-ene-1-carboxylate · Ethyl 2-methyl-6-pentyl-4-oxocyclohex-2-ene-1-carboxylate · 2-Methyl-4-oxo-6-pentyl-2-cyclohexene-1-carboxylic acid ethyl ester
https://huagongshe.com/de/chemical/100968
Identifikatoren & physikalische Daten
| CAS No. | 59151-19-8 |
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| Summenformel | C15H24O3 |
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| Durchschnittliche Molmasse | 252,35 g/mol |
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| Monoisotopische Masse | 252,17254462 g/mol |
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| SMILES | CCCCCC1CC(=O)C=C(C)C1C(=O)OCC |
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| InChIKey | ZJLHQWGPVWXKME-UHFFFAOYSA-N |
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| PubChem CID | 100968 |
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| EC No. | 261-629-6 |
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| DTXSID | DTXSID40866743 |
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| Lokaler Name | Ethyl-2-methyl-4-oxo-6-pentylcyclohex-2-en-1-carboxylat |
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Chemische & physikalische Eigenschaften
| XLogP | 3,3 |
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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 | 7 |
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| Schwere Atome | 18 |
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| Formalladung | 0 |
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| Komplexität | 331 |
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| Duftstoffe | Fragrance Ingredient (Ethyl 2-methyl-4-oxo-6-pentylcyclohex-2-ene-1-carboxylate) -> IFRA transparency List |
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| Siedepunkt | 315℃ at 101.3kPa |
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| Dampfdruck | 0.005Pa at 20℃ |
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| Aggregatzustand | Liquid |
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| Geruch | at 100.00 %. sweet anise floral clean autumn jasmin |
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| Geruchsart | floral |
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| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
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| LogP (Verteilungskoeffizient) | 3.3-3.4 at 35℃ and pH7 |
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| EPA chemische Informationen | 2-Cyclohexene-1-carboxylic acid, 2-methyl-4-oxo-6-pentyl-, ethyl ester (59151-19-8) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 15.4% (235 of 1524) of reports.H412 (84.6%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P273, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1524 reports by companies from 2 notifications to the ECHA C&L Inventory. |
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| Regulatorische Informationen | Chemical: 2-Cyclohexene-1-carboxylic acid, 2-methyl-4-oxo-6-pentyl-, ethyl esterREACH registered substance: Ethyl 2-methyl-4-oxo-6-pentylcyclohex-2-ene-1-carboxylate (EC: 261-629-6)2-Cyclohexene-1-carboxylic acid, 2-methyl-4-oxo-6-pentyl-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard |
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| Hazard Classes and Categories | Aquatic Chronic 3 (84.6%) |
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| TSCA-Inventar-Status | TSCA listed |
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