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Ethyl-4-hydroxycyclohexancarboxylat
ethyl 4-hydroxycyclohexane-1-carboxylate · 4-Hydroxycyclohexanecarboxylate · Ai3-28355 · Einecs 241-215-1 · Ethyl 4-hydroxycyclohexanecarbonate · Ethyl 4-hydroxycyclohexylcarboxylate · ETHYL 4-HYDROXYCYCLOHEXANECARBOXYLATE · Ethyl4-hydroxycyclohexanecarboxylate,98%
Identifikatoren & physikalische Daten
| CAS No. | 17159-80-7 |
|---|---|
| Summenformel | C9H16O3 |
| Durchschnittliche Molmasse | 172,22 g/mol |
| Monoisotopische Masse | 172,10994437 g/mol |
| SMILES | CCOC(=O)C1CCC(O)CC1 |
| InChIKey | BZKQJSLASWRDNE-UHFFFAOYSA-N |
| PubChem CID | 86973 |
| EC No. | 187-677-7 |
| DTXSID | DTXSID90169135 |
| Lokaler Name | Ethyl-4-hydroxycyclohexancarboxylat |
Chemische & physikalische Eigenschaften
| XLogP | 1 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 148 |
| Stoffklassen | Industrial compound |
| Siedepunkt | 127-134 °C0.1 mm Hg(lit.) |
| Dichte | 1.068 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.466(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | liquid |
| pKa (Säurekonstante) | 14.98±0.40(Predicted) |
| Wichte | 1.068 |
| Löslichkeit | Not miscible or difficult to mix in water. |
| InChI | InChI=1S/C9H16O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h7-8,10H,2-6H2,1H3 |
| InChIKey | BZKQJSLASWRDNE-UHFFFAOYSA-N |
| SMILES | C1(C(OCC)=O)CCC(O)CC1 |
| CAS Datenbank | 17159-80-7 |
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 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2918199890 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Ethyl 4-hydroxycyclohexanecarboxylate, cis + trans is used in the synthesis of other chemicals and as pharmaceutical intermediate.