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HCID 441Erstellt: 25. Oktober 2026
3-Hydroxybutyric Acid
POLY(3-HYDROXYBUTYRATE) · Poly(a-hydroxybutyrate) · poly-beta-hydroxybutyrate · Poly(3-hydroxyvalericacid) · Poly-β-Hydroxybutyric Acid · POLY(3-HYDROXYBUTYRIC ACID) · Poly[(R)-3-hydroxybutyrate] · Poly-beta-hydroxybutyric acid
https://huagongshe.com/de/chemical/441
Identifikatoren & physikalische Daten
| CAS No. | 26063-00-3 |
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| Summenformel | C4H8O3 |
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| Durchschnittliche Molmasse | 104,1 g/mol |
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| Monoisotopische Masse | 104,04734412 g/mol |
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| SMILES | CC(O)CC(=O)O |
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| InChIKey | WHBMMWSBFZVSSR-UHFFFAOYSA-N |
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| PubChem CID | 441 |
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| ChEMBL | CHEMBL1162496 |
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| ChEBI | CHEBI:20067 |
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| EC No. | 206-099-9 |
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| DTXSID | DTXSID60859511 |
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Chemische & physikalische Eigenschaften
| XLogP | -0,5 |
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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 | 69,3 |
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| Stoffklassen | Other Classes -> Organic Acids |
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| Lipide | Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Hydroxy fatty acids [FA0105] |
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| SpringerMaterials Properties | Chemical shift |
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| Food Contact Substances | FCS -> FDA Cumulative Estimated Daily Intake (CEDI) |
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| Physical Description | Hygroscopic liquid[Merck Index] Clear, colorless to light yellow viscous liquid[Acros Organics MSDS] |
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| Collision Cross Section | 137.54 Ų [M-H]- [CCS Type: DTMethod: stepped-field]137.1 Ų [M-H]- |
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| Schmelzpunkt | 47-180 °C |
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| Dichte | 1.2 g/cm3 |
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| Lagerbedingungen | 2-8°C |
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| Aggregatzustand | powder |
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| Farbe | white to off-white |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/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)Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Chemical: Butanoic acid, 3-hydroxy-3-Hydroxybutyric acid: Does not have an individual approval but may be used under an appropriate group standard |
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| Weitere Sicherheitsinformationen | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
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| Gefahrenübersicht | An irritant[Acros Organics MSDS] See Butyric acid. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Lagerklasse | 11 - Combustible Solids |
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