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Substance Name: Octyldodecyl stearoyl stearate
RN: 90052-75-8
UNII: 3D47Q6D93C
InChIKey: XMFXBMLFOSSELI-UHFFFAOYSA-N

Classification Code

  • TSCA Flag PMN (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C56-H110-O4

Molecular Weight

  • 847.481
 
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Names and Synonyms

Name of Substance

  • Octyldodecyl stearoyl stearate

Synonyms

  • EINECS 289-991-0
  • UNII-3D47Q6D93C

Systematic Names

  • 2-Octyldodecyl 12-((1-oxooctadecyl)oxy)octadecanoate
  • Octadecanoic acid, 12-((1-oxooctadecyl)oxy)-, 2-octyldodecyl ester

Registry Numbers

CAS Registry Number

  • 90052-75-8

FDA UNII

  • 3D47Q6D93C

System Generated Number

  • 0090052758

Structure Descriptors

InChI

1S/C56H110O4/c1-5-9-13-17-20-22-23-24-25-26-27-28-34-39-45-51-56(58)60-54(48-42-16-12-8-4)49-43-37-32-29-30-33-38-44-50-55(57)59-52-53(46-40-35-19-15-11-7-3)47-41-36-31-21-18-14-10-6-2/h53-54H,5-52H2,1-4H3

InChIKey

XMFXBMLFOSSELI-UHFFFAOYSA-N

Smiles

C(CCCCCCCCCC[C@@H](CCCCCC)OC(CCCCCCCCCCCCCCCCC)=O)(=O)OC[C@@H](CCCCCCCCCC)CCCCCCCC