2-Palmito-1-stearo-3-olein

CAS Registry Number®

35984-52-2

CAS Name

2-Palmito-1-stearo-3-olein

Molecular Formula

C55H104O6

Molecular Mass

861.41

Cite this Page

2-Palmito-1-stearo-3-olein.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=35984-52-2 (retrieved 2024-11-22) (CAS RN: 35984-52-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    40-41 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=WRXCJQWYSUUELD-RFBIWTDZNA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

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

View All

Deleted or Replaced CAS Registry Numbers

2410-31-3, 59891-29-1

CAS INSIGHTSTM
Hourglass and a clock