HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 12972Erstellt: 1. November 2026
2-Octylmalonic acid
α,α-DC11 · Octylmalonic acid · 2-Octylmalonic acid · 2-n-Octylmalonic acid · 2-octylpropanedioic acid · Propanedioic acid, 2-octyl- · Nonane-1,1-dicarboxylic acid
https://huagongshe.com/de/chemical/12972
Identifikatoren & physikalische Daten
| CAS No. | 760-55-4 |
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| Summenformel | C11H20O4 |
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| Durchschnittliche Molmasse | 216,27 g/mol |
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| Monoisotopische Masse | 216,13615911 g/mol |
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| SMILES | CCCCCCCCC(C(=O)O)C(=O)O |
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| InChIKey | QJGNSTCICFBACB-UHFFFAOYSA-N |
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| PubChem CID | 12972 |
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| EC No. | 658-659-0 |
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| DTXSID | DTXSID80226903 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
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| Polarare Oberfläche (TPSA) | 74,6 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 9 |
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| Schwere Atome | 15 |
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| Formalladung | 0 |
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| Komplexität | 187 |
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| Schmelzpunkt | 116°C |
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| Siedepunkt | 389.33°C (rough estimate) |
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| Dichte | 1.1730 |
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| Brechungsindex | 1.4397 (estimate) |
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| pKa (Säurekonstante) | 3.33±0.21(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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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| Alarmwort | Achtung |
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| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
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