HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 33002Erstellt: 26. Oktober 2026
Isotridecanoic acid
Dodecanoic acid, 11-methyl- · ISOTRIDECANOIC ACID · 11-METHYLLAURIC ACID · 11-METHYLDODECANOIC ACID · 11-Methyldodecanoic acid, Isotridecanoic acid
https://huagongshe.com/de/chemical/33002
Identifikatoren & physikalische Daten
| CAS No. | 25448-24-2 |
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| Summenformel | C13H26O2 |
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| Durchschnittliche Molmasse | 214,34 g/mol |
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| Monoisotopische Masse | 214,19328007 g/mol |
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| SMILES | CC(C)CCCCCCCCCC(=O)O |
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| InChIKey | SIOLDWZBFABPJU-UHFFFAOYSA-N |
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| PubChem CID | 33002 |
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| ChEBI | CHEBI:77359 |
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| EC No. | 246-997-8 |
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| DTXSID | DTXSID1067099 |
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Chemische & physikalische Eigenschaften
| XLogP | 4,5 |
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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 | 10 |
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| Schwere Atome | 15 |
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| Formalladung | 0 |
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| Komplexität | 153 |
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| Lipide | Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102] |
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| Collision Cross Section | 153.22 Ų [M-H]- [CCS Type: TIMSMethod: single field calibrated] |
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| Schmelzpunkt | 40.5-41 °C |
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| Siedepunkt | 174 °C(Press: 11 Torr) |
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| Dichte | 0.900±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | −20°C |
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| pKa (Säurekonstante) | 4.78±0.10(Predicted) |
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| CAS Datenbank | 5681-98-1 |
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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 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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| Regulatorische Informationen | Chemical: Isotridecanoic acidIsotridecanoic acid: Does not have an individual approval but may be used under an appropriate group standard |
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| Weitere Sicherheitsinformationen | IMAP assessments - Isotridecanoic acid: Human health tier I assessment |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-36 |
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