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HCID 89377Erstellt: 23. Oktober 2026
9,10-Dihydroxystearinsure
9,10-Dihydroxystearate · 9 10-DIHYDROXYOCTADECANOIC ACID · Octadecanoic acid,9,10-dihydroxy · AKOS 236-72 · 9,10-Dihydroxystearic acid
https://huagongshe.com/de/chemical/89377
Identifikatoren & physikalische Daten
| CAS No. | 120-87-6 |
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| Summenformel | C18H36O4 |
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| Durchschnittliche Molmasse | 316,5 g/mol |
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| Monoisotopische Masse | 316,26135963 g/mol |
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| SMILES | CCCCCCCCC(O)C(O)CCCCCCCC(=O)O |
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| InChIKey | VACHUYIREGFMSP-UHFFFAOYSA-N |
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| PubChem CID | 89377 |
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| ChEMBL | CHEMBL4747409 |
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| ChEBI | CHEBI:28724 |
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| EC No. | 204-432-2 |
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| DTXSID | DTXSID30870475 |
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| Lokaler Name | 9,10-Dihydroxystearinsure |
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Chemische & physikalische Eigenschaften
| XLogP | 5,1 |
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| Polarare Oberfläche (TPSA) | 77,8 |
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| H-Brücken-Donoren | 3 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 16 |
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| Schwere Atome | 22 |
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| Formalladung | 0 |
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| Komplexität | 255 |
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| Lipide | Fatty Acyls [FA] -> Octadecanoids [FA02] -> Other Octadecanoids [FA0200] |
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| Food Contact Substances | FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
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| Schmelzpunkt | 90°C |
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| Siedepunkt | 375.89°C (rough estimate) |
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| Dichte | 0.9730 (rough estimate) |
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| Brechungsindex | 1.4434 (estimate) |
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| Löslichkeit | DMF: 25mg/mLDMSO: 10mg/mLDMSO:PBS (pH 7.2) (1:5): 0.16mg/mLEthanol: 5mg/mL |
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| Aggregatzustand | A crystalline solid |
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| pKa (Säurekonstante) | 4.78±0.10(Predicted) |
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| Farbe | White to off-white |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 4.7% (2 of 43) of reports.WarningH302 (90.7%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 4 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 (90.7%) |
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| Alarmwort | Warnung |
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| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
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