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CAS 285979-76-2

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Octadecanoic-18,18,18-d3acid, 1,2,3-propanetriyl ester (9CI)

Description:
Octadecanoic-18,18,18-d3 acid, 1,2,3-propanetriyl ester (9CI), with CAS number 285979-76-2, is a synthetic compound derived from octadecanoic acid, commonly known as stearic acid. This substance is characterized by its long hydrocarbon chain, which contributes to its hydrophobic properties and makes it a solid at room temperature. The presence of deuterium isotopes (d3) indicates that it has been labeled for use in various analytical applications, such as NMR spectroscopy, allowing for the tracking of molecular behavior in biological systems. As an ester, it is formed through the reaction of octadecanoic acid with glycerol (propanetriol), resulting in a triester that is often used in cosmetic formulations, food products, and as a lubricant or emulsifier in various industrial applications. Its stability and non-reactive nature make it suitable for long-term storage and use in formulations requiring a consistent texture and performance. Overall, this compound exemplifies the characteristics of fatty acid esters, including low solubility in water and potential applications in both food and cosmetic industries.
Formula:C57H101D9O6
InChI:InChI=1S/C57H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3/i1D3,2D3,3D3
InChI key:DCXXMTOCNZCJGO-GQALSZNTSA-N
SMILES:[2H]C([2H])([2H])CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC([2H])([2H])[2H])OC(=O)CCCCCCCCCCCCCCCCC([2H])([2H])[2H]
Synonyms:
  • Glyceryl Tri(Octadecanoate-18,18,18-D3)
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