HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 95609Erstellt: 27. Oktober 2026
4-Hydroxyhexan-3-on
4-HYDROXY-3-HEXANONE · PROPIONOIN · PROPIOIN · AI313026 · NSC 23087 · Propyroin · AI3 13026 · AI3-13026
https://huagongshe.com/de/chemical/95609
Identifikatoren & physikalische Daten
| CAS No. | 4984-85-4 |
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| Summenformel | C6H12O2 |
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| Durchschnittliche Molmasse | 116,16 g/mol |
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| Monoisotopische Masse | 116,08372962 g/mol |
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| SMILES | CCC(=O)C(O)CC |
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| InChIKey | SKCYVGUCBRYGTE-UHFFFAOYSA-N |
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| PubChem CID | 95609 |
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| ChEBI | CHEBI:18351 |
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| EC No. | 225-637-3 |
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| DTXSID | DTXSID40863474 |
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| Lokaler Name | 4-Hydroxyhexan-3-on |
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Chemische & physikalische Eigenschaften
| XLogP | 0,7 |
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| Polarare Oberfläche (TPSA) | 37,3 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 8 |
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| Formalladung | 0 |
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| Komplexität | 78,6 |
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| Lipide | Fatty Acyls [FA] -> Oxygenated hydrocarbons [FA12] |
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| Aromastoffe | EU Flavoring substances |
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| Schmelzpunkt | -3.75°C (estimate) |
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| Siedepunkt | 167 °C |
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| Dichte | 0,95 g/cm3 |
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| Brechungsindex | 1.4340 (589.3 nm 21℃) |
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| Flammpunkt | 54 °C |
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| pKa (Säurekonstante) | 13.03±0.20(Predicted) |
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| Aggregatzustand | clear liquid |
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| Farbe | White to Yellow to Green |
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| InChI | 1S/C6H12O2/c1-3-5(7)6(8)4-2/h5,7H,3-4H2,1-2H3 |
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| InChIKey | SKCYVGUCBRYGTE-UHFFFAOYSA-N |
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| SMILES | CCC(O)C(=O)CC |
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| LogP (Verteilungskoeffizient) | 0.720 (est) |
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| CAS Datenbank | 4984-85-4(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P317, P321, P330, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)3-Hexanone, 4-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard |
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| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
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| Wassergefährdungsklasse (WGK) | WGK 3 |
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| UN-Transportnummer | UN 1993C 3 / PGIII |
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| Zollcode | 2914.40.9000 |
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| R-Sätze (R) | 36/37/38-20/21/22-10 |
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| Gefahrensymbole | Xn |
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| Sicherheitshinweise (S) | 26-36/37/39-36/37 |
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| Gefahrenklasse | 3Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralFlam. Liq. 3 |
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| Verpackungsgruppe | III |
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| Lagerklasse | 3 - Flammable liquids |
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