Identifikatoren & physikalische Daten
| CAS No. | 24323-24-8 |
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| Summenformel | C11H22O2 |
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| Durchschnittliche Molmasse | 186,29 g/mol |
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| Monoisotopische Masse | 186,16197994 g/mol |
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| SMILES | CCCCCCC(C)CCC(=O)O |
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| InChIKey | NODQTVSOELONGZ-UHFFFAOYSA-N |
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| PubChem CID | 459849 |
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| ChEBI | CHEBI:179398 |
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| DTXSID | DTXSID50332707 |
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Chemische & physikalische Eigenschaften
| XLogP | 4,1 |
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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 | 8 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 132 |
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| Lipide | Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102] |
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| Aromastoffe | EU Flavoring substances |
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| LogP (Verteilungskoeffizient) | 4.108 (est) |
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Sicherheit & Vorschriften
| Regulatorische Informationen | Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Decanoic acid, 4-methyl-: Does not have an individual approval but may be used under an appropriate group standard |
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