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Cyclohexanpropionaldehyd
NSC 20772 · Cyclohexanepropanal · cyclohexanepropionaldehyde
Identifikatoren & physikalische Daten
| CAS No. | 4361-28-8 |
|---|---|
| Summenformel | C9H16O |
| Durchschnittliche Molmasse | 140,22 g/mol |
| Monoisotopische Masse | 140,12011513 g/mol |
| SMILES | O=CCCC1CCCCC1 |
| InChIKey | RKFNAZGRJVNWEW-UHFFFAOYSA-N |
| PubChem CID | 78070 |
| EC No. | 224-446-2 |
| DTXSID | DTXSID20195886 |
| Lokaler Name | Cyclohexanpropionaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 92,9 |
| Siedepunkt | 216.76°C (rough estimate) |
| Dichte | 0.9063 (rough estimate) |
| Brechungsindex | 1.4660 (estimate) |
| Lagerbedingungen | -20°C Freezer |
| Löslichkeit | soluble in Acetone, Dichloromethane, Methanol |
| Aggregatzustand | solid |
| Stabilität | Product unstable. Use immediately upon receipt. |
| InChI | 1S/C9H16O/c10-8-4-7-9-5-2-1-3-6-9/h8-9H,1-7H2 |
| InChIKey | RKFNAZGRJVNWEW-UHFFFAOYSA-N |
| SMILES | O=CCCC1CCCCC1 |
| LogP (Verteilungskoeffizient) | 2.970 (est) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH227 (100%): Combustible liquid [Warning Flammable liquids]P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403, P403+P233, P405, 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. |
|---|---|
| Regulatorische Informationen | Cyclohexanepropionaldehyde: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 4 (100%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
3-Cyclohexylpropanal (cas# 4361-28-8) is a compound useful in organic synthesis.