HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 69271Erstellt: 25. Oktober 2026
2-Octyldecansure
EINECS 210-594-5 · 2-octylcapric acid · Dioctylacetic acid · 2-Octydecanoic acid · 2-octyldecanoic acid · Decanoic acid, 2-octyl-
https://huagongshe.com/de/chemical/69271
Identifikatoren & physikalische Daten
| CAS No. | 619-39-6 |
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| Summenformel | C18H36O2 |
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| Durchschnittliche Molmasse | 284,5 g/mol |
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| Monoisotopische Masse | 284,27153039 g/mol |
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| SMILES | CCCCCCCCC(CCCCCCCC)C(=O)O |
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| InChIKey | OYYXZGFIZTYYRB-UHFFFAOYSA-N |
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| PubChem CID | 69271 |
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| EC No. | 210-594-5 |
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| DTXSID | DTXSID2060701 |
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| Lokaler Name | 2-Octyldecansure |
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Chemische & physikalische Eigenschaften
| XLogP | 7,5 |
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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 | 15 |
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| Schwere Atome | 20 |
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| Formalladung | 0 |
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| Komplexität | 197 |
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| SpringerMaterials Properties | Surface tension |
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| Schmelzpunkt | 38.5°C |
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| Siedepunkt | 369.53°C (estimate) |
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| Dichte | 0.8833 (rough estimate) |
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| Brechungsindex | 1.4430 (estimate) |
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| pKa (Säurekonstante) | 4.82±0.40(Predicted) |
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| Aggregatzustand | 38.5°C Liquid |
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| InChI | InChI=1S/C18H36O2/c1-3-5-7-9-11-13-15-17(18(19)20)16-14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H,19,20) |
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| InChIKey | OYYXZGFIZTYYRB-UHFFFAOYSA-N |
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| SMILES | C(O)(=O)C(CCCCCCCC)CCCCCCCC |
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| LogP (Verteilungskoeffizient) | 7.674 (est) |
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| EPA chemische Informationen | Decanoic acid, 2-octyl- (619-39-6) |
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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 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| TSCA-Inventar-Status | TSCA listed |
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