Identifikatoren & physikalische Daten
| CAS No. | 764-59-0 |
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| Summenformel | C6H10O |
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| Durchschnittliche Molmasse | 98,14 g/mol |
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| Monoisotopische Masse | 98,07316494 g/mol |
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| SMILES | C=CCCCC=O |
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| InChIKey | USLRUYZDOLMIRJ-UHFFFAOYSA-N |
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| PubChem CID | 69817 |
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| ChEBI | CHEBI:165520 |
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| EC No. | 212-127-0 |
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| DTXSID | DTXSID30227228 |
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| Lokaler Name | Hex-5-enal |
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Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
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| Polarare Oberfläche (TPSA) | 17,1 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 1 |
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| Frei drehbare Bindungen | 4 |
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| Schwere Atome | 7 |
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| Formalladung | 0 |
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| Komplexität | 57,2 |
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| Lipide | Fatty Acyls [FA] -> Fatty aldehydes [FA06] |
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| Siedepunkt | 128℃ |
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| Dichte | 0.817 |
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| Flammpunkt | 19℃ |
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| LogP (Verteilungskoeffizient) | 1.494 (est) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Flam. Liq. 2 (100%) |
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| Alarmwort | Achtung |
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| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H225 |
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