HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 87Erstellt: 24. Oktober 2026
3-Hydroxyisobutyric acid
3-hydroxyisobutyric acid · beta-Hydroxyisobutyric acid · DL-3-Hydroxyisobutyric Acid · rac 3-Hydroxyisobutyric Acid · (S)-3-Hydroxyisobutyric acid · 2-(Hydroxymethyl)propionic Acid · 2-Methyl-3-hydroxypropionic Acid · 2-Methyl-3-hydroxypropanoic Acid
https://huagongshe.com/de/chemical/87
Identifikatoren & physikalische Daten
| CAS No. | 2068-83-9 |
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| Summenformel | C4H8O3 |
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| Durchschnittliche Molmasse | 104,1 g/mol |
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| Monoisotopische Masse | 104,04734411 g/mol |
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| SMILES | CC(CO)C(=O)O |
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| InChIKey | DBXBTMSZEOQQDU-UHFFFAOYSA-N |
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| PubChem CID | 87 |
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| ChEBI | CHEBI:18064 |
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| EC No. | 819-819-7 |
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| DTXSID | DTXSID20862824 |
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Chemische & physikalische Eigenschaften
| XLogP | -0,4 |
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| Polarare Oberfläche (TPSA) | 57,5 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 7 |
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| Formalladung | 0 |
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| Komplexität | 69 |
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| Siedepunkt | 252.9±23.0 °C(Predicted) |
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| Dichte | 1.195±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Store at -20°C |
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| Aggregatzustand | Liquid |
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| pKa (Säurekonstante) | 4.46±0.10(Predicted) |
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| Farbe | Colorless to light yellow |
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| Löslichkeit | Water: 50 mg/mL (480.31 mM) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (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]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, 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 | Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%) |
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| Alarmwort | Warnung |
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| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H315 |
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