Triheptanoin

CAS Registry Number®

620-67-7

CAS Name

Triheptanoin

Molecular Formula

C24H44O6

Molecular Mass

428.60

Cite this Page

Triheptanoin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=620-67-7 (retrieved 2024-11-24) (CAS RN: 620-67-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    178 °C @ Press: 0.3 Torr

  • Density (1)

    0.904 g/cm³ @ Temp: 100 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C24H44O6/c1-4-7-10-13-16-22(25)28-19-21(30-24(27)18-15-12-9-6-3)20-29-23(26)17-14-11-8-5-2/h21H,4-20H2,1-3H3

InChIKey

InChIKey=PJHKBYALYHRYSK-UHFFFAOYSA-N

SMILES

C(OC(CCCCCC)=O)(COC(CCCCCC)=O)COC(CCCCCC)=O

Canonical SMILES

O=C(OCC(OC(=O)CCCCCC)COC(=O)CCCCCC)CCCCCC

Other Names for this Substance

  • Heptanoic acid, 1,1′,1′′-(1,2,3-propanetriyl) ester
  • Heptanoin, tri-
  • Heptanoic acid, 1,2,3-propanetriyl ester
  • Glycerol triheptanoate
  • Triheptanoin

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