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CAS 100258-46-6

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Octadecanoic acid, 12-[(1-oxooctadecyl)oxy]-, 2-octyldecyl ester

Description:
Octadecanoic acid, 12-[(1-oxooctadecyl)oxy]-, 2-octyldecyl ester, commonly known as a type of fatty acid ester, is characterized by its long hydrocarbon chains, which contribute to its hydrophobic properties. This compound features a fatty acid backbone derived from octadecanoic acid (stearic acid) and is modified with an ester functional group, indicating that it is formed from the reaction of an alcohol and a carboxylic acid. The presence of the octyldecyl group suggests that it has significant lipophilicity, making it soluble in non-polar solvents while being insoluble in water. This structure imparts potential applications in various fields, including cosmetics, lubricants, and as surfactants in formulations. Additionally, the compound may exhibit properties such as low volatility and thermal stability, which are advantageous in industrial applications. Its molecular structure also suggests potential interactions with biological membranes, which could be relevant in pharmacological contexts. Overall, this compound exemplifies the characteristics typical of long-chain fatty acid esters, with implications for both industrial and biological applications.
Formula:C54H106O4
InChI:InChI=1S/C54H106O4/c1-5-9-13-17-20-21-22-23-24-25-26-27-32-37-43-49-54(56)58-52(46-40-16-12-8-4)47-41-35-30-28-29-31-36-42-48-53(55)57-50-51(44-38-33-18-14-10-6-2)45-39-34-19-15-11-7-3/h51-52H,5-50H2,1-4H3
InChI key:InChIKey=OJZAYYRZOXLCEY-UHFFFAOYSA-N
SMILES:C(OC(CCCCCCCCCCCCCCCCC)=O)(CCCCCCCCCCC(OCC(CCCCCCCC)CCCCCCCC)=O)CCCCCC
Synonyms:
  • Octadecanoic acid, 12-[(1-oxooctadecyl)oxy]-, 2-octyldecyl ester
  • 2-Octyldecyl 12-[(1-oxooctadecyl)oxy]octadecanoate
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