HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Methylhexan-3-on
5-methylhexan-3-one · Ethylisobutylketon · 2-Methyl-4-hexanone · 5-METHYL-3-HEXANONE · isobutylethylketone · 5-methyl-hexan-3-one · 3-Hexanone,5-methyl- · Isobutyl ethyl ketone
Identifikatoren & physikalische Daten
| CAS No. | 623-56-3 |
|---|---|
| Summenformel | C7H14O |
| Durchschnittliche Molmasse | 114,19 g/mol |
| Monoisotopische Masse | 114,10446507 g/mol |
| SMILES | CCC(=O)CC(C)C |
| InChIKey | DXVYLFHTJZWTRF-UHFFFAOYSA-N |
| PubChem CID | 12187 |
| ChEBI | CHEBI:89209 |
| EC No. | 210-801-9 |
| DTXSID | DTXSID90211360 |
| Lokaler Name | 5-Methylhexan-3-on |
Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 74 |
| Siedepunkt | 135 °C136°C |
| Physical Description | Liquid[MP Biomedicals MSDS] |
| Kovats Retention Index | 816.7817865844.610051067.8 |
| Schmelzpunkt | -46.2°C (estimate) |
| Dichte | 0,81 g/cm3 |
| Brechungsindex | 1.4020-1.4060 |
| Flammpunkt | 39°C |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light yellow |
| Henry-Konstante | 3.1×10-2 mol/(m3Pa) at 25℃, Yaws (2003) |
| LogP (Verteilungskoeffizient) | 1.840 (est) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (97.6%): 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 41 reports by companies from 2 notifications to the ECHA C&L Inventory.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Gefahrenübersicht | May cause irritation[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Flam. Liq. 3 (97.6%) |
| Unerwünschte Wirkungen | Neurotoxin - Acute solvent syndrome |
| UN-Transportnummer | 1224 |
| Zollcode | 2914199090 |
| R-Sätze (R) | 10 |
| Sicherheitshinweise (S) | 16 |
| Gefahrenklasse | 3 |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
Ethyl Isobutyl is used in preparation of lactam compounds useful as antiviral agents.