HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 227401Erstellt: 26. Oktober 2026
2-Cycloheptylacetic acid
CYCLOHEPTYLACETIC ACID · Cycloheptaneacetic acid · Cycloheptylaceticacid,99% · 2-cycloheptylethanoic acid
https://huagongshe.com/de/chemical/227401
Identifikatoren & physikalische Daten
| CAS No. | 4401-20-1 |
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| Summenformel | C9H16O2 |
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| Durchschnittliche Molmasse | 156,22 g/mol |
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| Monoisotopische Masse | 156,11502975 g/mol |
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| SMILES | O=C(O)CC1CCCCCC1 |
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| InChIKey | DQNWKASPZFJVMJ-UHFFFAOYSA-N |
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| PubChem CID | 227401 |
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| EC No. | 670-247-2 |
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| DTXSID | DTXSID70280877 |
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Chemische & physikalische Eigenschaften
| XLogP | 3 |
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| Polarare Oberfläche (TPSA) | 37,3 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 124 |
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| Schmelzpunkt | 14-15°C |
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| Siedepunkt | 110-112°C 1mm |
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| Dichte | 1,023 g/cm3 |
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| Brechungsindex | 1.4725 |
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| Flammpunkt | 110-112°C/1mm |
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| Lagerbedingungen | Store at room temperature |
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| pKa (Säurekonstante) | 4.72±0.10(Predicted) |
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| BRN | 1935484 |
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| CAS Datenbank | 4401-20-1 |
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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 5 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 | Skin Irrit. 2 (100%) |
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| Zollcode | 2916200090 |
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| R-Sätze (R) | 36/37/38-51-41-37/38-22 |
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| Gefahrensymbole | Xn |
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| Sicherheitshinweise (S) | 26-36/37/39-39 |
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