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Ethylcyclobutancarboxylat
NSC 125691 · Ethyl cyclobutane formate · Ethyl Cyclobutancarboxylate · ethyl cyclobutylcarboxylate · ETHYL CYCLOBUTANECARBOXYLATE · EthylCyclobutanecarboxylate>ETHYL CYCLOBUTYLCARBOXYLIC ACID · Ethyl cyclobutylcarbocylic acid · Ring butyl carboxylic acid ethyl ester
Identifikatoren & physikalische Daten
| CAS No. | 14924-53-9 |
|---|---|
| Summenformel | C7H12O2 |
| Durchschnittliche Molmasse | 128,17 g/mol |
| Monoisotopische Masse | 128,08372962 g/mol |
| SMILES | CCOC(=O)C1CCC1 |
| InChIKey | SMVBADCAMQOTOV-UHFFFAOYSA-N |
| PubChem CID | 84700 |
| EC No. | 238-995-0 |
| DTXSID | DTXSID70164204 |
| Lokaler Name | Ethylcyclobutancarboxylat |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 105 |
| SpringerMaterials Properties | Surface tension |
| Siedepunkt | 159 °C (lit.) |
| Dichte | 0.928 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.426(lit.) |
| Flammpunkt | 107 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Almost colorless |
| BRN | 1929653 |
| InChI | InChI=1S/C7H12O2/c1-2-9-7(8)6-4-3-5-6/h6H,2-5H2,1H3 |
| InChIKey | SMVBADCAMQOTOV-UHFFFAOYSA-N |
| SMILES | C1(C(OCC)=O)CCC1 |
| CAS Datenbank | 14924-53-9(CAS DataBase Reference) |
| NIST chemische Informationen | Ethyl cyclobutanecarboxylate(14924-53-9) |
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 42 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3272 3/PG 3 |
| Zollcode | 29162090 |
| R-Sätze (R) | 10 |
| Sicherheitshinweise (S) | 16-24/25 |
| Gefahrenklasse | 3.2Flam. Liq. 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
Ethyl cyclobutanecarboxylate can be used in the synthesis of cyclobutylidenecyclopropane by a three-step sequence.