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HCID 80018Erstellt: 27. Oktober 2026
1-Methylhexylacetat
2-Heptanol, acetate · 2-Heptylacetate · Ai3-33695 · Einecs 227-647-3 · SEC-HEPTYLACETATE · Heptan-2-yl acetate · 2-Heptanol, 2-acetate · 1-methylhexyl acetate
https://huagongshe.com/de/chemical/80018
Identifikatoren & physikalische Daten
| CAS No. | 5921-82-4 |
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| Summenformel | C9H18O2 |
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| Durchschnittliche Molmasse | 158,24 g/mol |
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| Monoisotopische Masse | 158,13067982 g/mol |
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| SMILES | CCCCCC(C)OC(C)=O |
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| InChIKey | VJYWBLDDQZIGJI-UHFFFAOYSA-N |
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| PubChem CID | 80018 |
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| EC No. | 227-647-3 |
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| DTXSID | DTXSID60863653 |
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| Lokaler Name | 1-Methylhexylacetat |
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Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
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| Polarare Oberfläche (TPSA) | 26,3 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 6 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 110 |
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| Aromastoffe | EU Flavoring substances |
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| Schmelzpunkt | -50.2°C (estimate) |
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| Siedepunkt | 183.34°C (estimate) |
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| Dichte | 0.8809 (estimate) |
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| Brechungsindex | 1.4039 (estimate) |
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| Geruch | fenugreek fruity |
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| Geruchsart | brown |
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| LogP (Verteilungskoeffizient) | 3.177 (est) |
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Sicherheit & Vorschriften
| GHS-Einstufung | H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P273, P391, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Regulatorische Informationen | Chemical: 2-Heptanol, acetateCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)2-Heptanol, acetate: Does not have an individual approval but may be used under an appropriate group standard |
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| Weitere Sicherheitsinformationen | IMAP assessments - 2-Heptanol, acetate: Environment tier I assessment |
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| Hazard Classes and Categories | Aquatic Chronic 2 (100%) |
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| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H411 |
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