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HCID 10399Erstellt: 26. Oktober 2026
Cycloheptanol
SUBEROL · Cycloheptanol · SUBERYL ALCOHOL · Cycloheptanol >Cycloheptanol 97% · Cycloheptanol,95% · Cycloheptanol,99% · Cycloheptane-1-ol · HYDROXYCYCLOHEPTANE
https://huagongshe.com/de/chemical/10399
Identifikatoren & physikalische Daten
| CAS No. | 502-41-0 |
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| Summenformel | C7H14O |
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| Durchschnittliche Molmasse | 114,19 g/mol |
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| Monoisotopische Masse | 114,10446507 g/mol |
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| SMILES | OC1CCCCCC1 |
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| InChIKey | QCRFMSUKWRQZEM-UHFFFAOYSA-N |
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| PubChem CID | 10399 |
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| ChEMBL | CHEMBL503332 |
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| EC No. | 207-936-0 |
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| DTXSID | DTXSID5074713 |
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| Lokaler Name | Cycloheptanol |
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Chemische & physikalische Eigenschaften
| XLogP | 1 |
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| Polarare Oberfläche (TPSA) | 20,2 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 1 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 8 |
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| Formalladung | 0 |
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| Komplexität | 53,4 |
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| SpringerMaterials Properties | Boiling point |
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| LogP (Verteilungskoeffizient) | 1.83 |
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| Schmelzpunkt | 7.2°C |
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| Siedepunkt | 185 °C (lit.) |
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| Dichte | 0.948 g/mL at 25 °C (lit.) |
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| Brechungsindex | n20/D 1.477(lit.) |
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| Flammpunkt | 160 °F |
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| Lagerbedingungen | Store below +30°C. |
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| Löslichkeit | Chloroform (Sparingly), Methanol (Slightly)immiscible |
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| Aggregatzustand | Oil |
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| pKa (Säurekonstante) | 15.31±0.20(Predicted) |
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| Farbe | Colourless |
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| Wichte | 0.948 |
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| BRN | 2036375 |
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| Henry-Konstante | 4.6×100 mol/(m3Pa) at 25℃, Plyasunov and Shock (2000) |
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| InChI | 1S/C7H14O/c8-7-5-3-1-2-4-6-7/h7-8H,1-6H2 |
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| InChIKey | QCRFMSUKWRQZEM-UHFFFAOYSA-N |
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| SMILES | OC1CCCCCC1 |
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| LogP (Verteilungskoeffizient) | 1.900 (est) |
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| CAS Datenbank | 502-41-0(CAS DataBase Reference) |
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| NIST chemische Informationen | Cycloheptanol(502-41-0) |
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| EPA chemische Informationen | Cycloheptanol (502-41-0) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. |
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| Regulatorische Informationen | Cycloheptanol: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
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| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | UN 1987 3/PG 3 |
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| Zollcode | 29061900 |
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| Gefahrensymbole | Xi |
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| hazard_note | Irritant |
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| Sicherheitshinweise (S) | 23-24/25 |
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| Gefahrenklasse | 3 |
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| Lagerklasse | 10 - Combustible liquids |
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