HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 84129Erstellt: 26. Oktober 2026
Methyl-5-oxohexanoat
EINECS 237-775-1 · Methyl Acetobutyrate · methyl 5-oxohexanoate · Methyl 4-acetylbutyrate · 5-Oxohexanoic acid methyl · 5-Oxocaproic acid methyl ester · 5-Ketocaproic acid methyl ester · 5-Oxohexanoic acid methyl ester
https://huagongshe.com/de/chemical/84129
Identifikatoren & physikalische Daten
| CAS No. | 13984-50-4 |
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| Summenformel | C7H12O3 |
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| Durchschnittliche Molmasse | 144,17 g/mol |
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| Monoisotopische Masse | 144,07864424 g/mol |
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| SMILES | COC(=O)CCCC(C)=O |
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| InChIKey | AVVPOKSKJSJVIX-UHFFFAOYSA-N |
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| PubChem CID | 84129 |
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| EC No. | 237-775-1 |
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| DTXSID | DTXSID1065687 |
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| Lokaler Name | Methyl-5-oxohexanoat |
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Chemische & physikalische Eigenschaften
| XLogP | 0,2 |
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| Polarare Oberfläche (TPSA) | 43,4 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 5 |
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| Schwere Atome | 10 |
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| Formalladung | 0 |
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| Komplexität | 129 |
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| Siedepunkt | 100-101 °C(Press: 11 Torr) |
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| Dichte | 0.996±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | 2-8°C |
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| Aggregatzustand | liquid |
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| Farbe | Colourless to light yellow |
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| LogP (Verteilungskoeffizient) | 0.279 (est) |
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| EPA chemische Informationen | Hexanoic acid, 5-oxo-, methyl ester (13984-50-4) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH227 (100%): Combustible liquid [Warning Flammable liquids]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+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. |
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| Hazard Classes and Categories | Flam. Liq. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%) |
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| TSCA-Inventar-Status | TSCA listed |
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| Zollcode | 2918300090 |
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