9-Octadecenoic acid, 1,2,3-propanetriyl ester, (E,E,E)-

• Formula: C₅₇H₁₀₄O₆
• Molecular weight: 885.4321
• IUPAC Standard InChI: InChI=1S/C57H104O6/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/h25-30,54H,4-24,31-53H2,1-3H3/b28-25+,29-26+,30-27+ Copy

  
• IUPAC Standard InChIKey: PHYFQTYBJUILEZ-WUOFIQDXSA-N Copy
• CAS Registry Number: 537-39-3
• Chemical structure:
  This structure is also available as a 2d Mol file
• Stereoisomers:
  • Triolein
• Other names: 2,3-Bis[(9E)-9-octadecenoyloxy]propyl (9E)-9-octadecenoate; 1,2,3-propanetriyl tris[(E)-9-octadecenoate]
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• Information on this page:
  • Reaction thermochemistry data
  • Mass spectrum (electron ionization)
  • References
  • Notes
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Reaction thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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Individual Reactions

3 +  =

By formula: 3H₂ + C₅₇H₁₀₄O₆ = C₅₇H₁₁₀O₆

Mass spectrum (electron ionization)

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Rogers and Choudhury, 1978
Rogers, D.W.; Choudhury, D.N., Heats of hydrogenation of large molecules. Part 3 - Five simple unsaturated triglycerides (triacylglycerols), J. Chem. Soc. Faraday Trans. 1, 1978, 74, 2868-2872. [all data]

Notes

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• Symbols used in this document:
  

  ΔrH°	Enthalpy of reaction at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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