3-[(1-Oxohexadecyl)oxy]-2-[(1-oxooctadecyl)oxy]propyl (9Z)-9-octadecenoate

CAS Registry Number®

2190-28-5

CAS Name

3-[(1-Oxohexadecyl)oxy]-2-[(1-oxooctadecyl)oxy]propyl (9Z)-9-octadecenoate

Molecular Formula

C55H104O6

Molecular Mass

861.41

Cite this Page

3-[(1-Oxohexadecyl)oxy]-2-[(1-oxooctadecyl)oxy]propyl (9Z)-9-octadecenoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2190-28-5 (retrieved 2024-11-22) (CAS RN: 2190-28-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    39.5-40.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1/C55H104O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h25,27,52H,4-24,26,28-51H2,1-3H3/b27-25-

InChIKey

InChIKey=NPCZZYKITFKRQZ-RFBIWTDZNA-N

SMILES

C(OC(CCCCCCCCCCCCCCCCC)=O)(COC(CCCCCCC/C=C\CCCCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O

Canonical SMILES

O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC

Other Names for this Substance

  • 9-Octadecenoic acid (9Z)-, 3-[(1-oxohexadecyl)oxy]-2-[(1-oxooctadecyl)oxy]propyl ester
  • Olein, 3-palmito-2-stearo-1-
  • 9-Octadecenoic acid (Z)-, 3-[(1-oxohexadecyl)oxy]-2-[(1-oxooctadecyl)oxy]propyl ester
  • Palmitin, 3-oleo-2-stearo-1-
  • Stearin, 1-oleo-3-palmito-2-

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Deleted or Replaced CAS Registry Numbers

84391-75-3, 87419-55-4

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