HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 67600Erstellt: 26. Oktober 2026
2-Oxooctansure
2-OXOOCTANIC ACID · 2-OXOCAPRYLIC ACID · 2-Oxooctanoic acid · α-ketooctanoic acid · A-ketooctanoic acid · RARECHEM AL BO 1078 · 2-Ketocaprylic acid · Octanoic acid, 2-oxo-
https://huagongshe.com/de/chemical/67600
Identifikatoren & physikalische Daten
| CAS No. | 328-51-8 |
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| Summenformel | C8H14O3 |
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| Durchschnittliche Molmasse | 158,19 g/mol |
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| Monoisotopische Masse | 158,09429431 g/mol |
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| SMILES | CCCCCCC(=O)C(=O)O |
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| InChIKey | GPPUPQFYDYLTIY-UHFFFAOYSA-N |
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| PubChem CID | 67600 |
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| ChEBI | CHEBI:173668 |
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| EC No. | 206-331-9 |
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| DTXSID | DTXSID90186468 |
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| Lokaler Name | 2-Oxooctansure |
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Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
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| Polarare Oberfläche (TPSA) | 54,4 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 6 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 140 |
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| Lipide | Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Oxo fatty acids [FA0106] |
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| Physical Description | Solid |
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| Schmelzpunkt | 33-36 °C |
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| Siedepunkt | 82 °C/0.05 mmHg |
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| Dichte | 1.038±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | 2-8°C |
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| pKa (Säurekonstante) | 2.73±0.54(Predicted) |
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| Aggregatzustand | flakes |
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| BRN | 1757862 |
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| InChI | 1S/C8H14O3/c1-2-3-4-5-6-7(9)8(10)11/h2-6H2,1H3,(H,10,11) |
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| InChIKey | GPPUPQFYDYLTIY-UHFFFAOYSA-N |
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| SMILES | CCCCCCC(=O)C(O)=O |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 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 | Acute Tox. 4 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| R-Sätze (R) | 22-36/37/38 |
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| Gefahrensymbole | Xn |
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| Sicherheitshinweise (S) | 26 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
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