HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 14066Erstellt: 27. Oktober 2026
5-Hydroxypentan-2-on
5-HYDROXYPENTAN-2-ONE · 5-HYDROXY-2-PENTANONE · 2-Pentanone, 5-hydroxy- · Hydroxypentanone · 3-Acetylpropanol · Acetopropyl alcohol · -Acetopropanol · 3-Acetopropanol
https://huagongshe.com/de/chemical/14066
Identifikatoren & physikalische Daten
| CAS No. | 1071-73-4 |
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| Summenformel | C5H10O2 |
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| Durchschnittliche Molmasse | 102,13 g/mol |
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| Monoisotopische Masse | 102,06807956 g/mol |
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| SMILES | CC(=O)CCCO |
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| InChIKey | JSHPTIGHEWEXRW-UHFFFAOYSA-N |
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| PubChem CID | 14066 |
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| ChEBI | CHEBI:195472 |
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| EC No. | 213-994-8 |
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| DTXSID | DTXSID30147917 |
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| Lokaler Name | 5-Hydroxypentan-2-on |
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Chemische & physikalische Eigenschaften
| XLogP | -0,4 |
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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 | 7 |
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| Formalladung | 0 |
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| Komplexität | 59 |
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| Physical Description | Colorless liquid[Sigma-Aldrich MSDS] |
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| Kovats Retention Index | 687 |
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| Schmelzpunkt | 2.5°C (estimate) |
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| Siedepunkt | 144-145 °C/100 mmHg (lit.) |
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| Dichte | 1.007 g/mL at 25 °C (lit.) |
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| Brechungsindex | n20/D 1.437(lit.) |
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| Flammpunkt | 200 °F |
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| Lagerbedingungen | 2-8°C |
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| pKa (Säurekonstante) | 14.89±0.10(Predicted) |
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| Aggregatzustand | Liquid |
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| Farbe | Colorless to Light yellow to Light orange |
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| InChI | InChI=1S/C5H10O2/c1-5(7)3-2-4-6/h6H,2-4H2,1H3 |
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| InChIKey | JSHPTIGHEWEXRW-UHFFFAOYSA-N |
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| SMILES | CC(=O)CCCO |
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| LogP (Verteilungskoeffizient) | -0.570 (est) |
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| CAS Datenbank | 1071-73-4(CAS DataBase Reference) |
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| NIST chemische Informationen | 2-Pentanone, 5-hydroxy-(1071-73-4) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 97.3% (72 of 74) of all reports.Not ClassifiedReported as not meeting GHS hazard criteria by 72 of 74 companies (only 2.7% companies provided GHS information). For more detailed information, please visit ECHA C&L website.Aggregated GHS information provided per 74 reports by companies from 2 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 72 of 74 reports by companies.There is 1 notification provided by 2 of 74 reports by companies with hazard statement code(s).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. |
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| Gefahrenübersicht | Causes diffuse hepatitis and somnolence in oral lethal-dose studies of miceCauses abnormal liver function tests, changes in recordings from peripheral motor nerve, weight loss, degenerative changes to brain, and optic nerve neuropathy in repeated-dose inhalation studies of rats[RTECS] May cause irritation[Sigma-Aldrich MSDS] See Diacetone alcohol. |
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| Hazard Classes and Categories | Not Classified |
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| Unerwünschte Wirkungen | Neurotoxin - Acute solvent syndromeOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation. |
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| Toxicity Data | LC (rat) > 2,000 mg/m3/4hr |
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| Wassergefährdungsklasse (WGK) | 2 |
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| Zollcode | 29144000 |
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| RTECS-Nr. | UA4600000 |
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| R-Sätze (R) | 36/37/38 |
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| Toxizität | LD50 orl-rat: 6400 mg/k TNICS* 13,118,73 |
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| Gefahrensymbole |
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