Pentaerythritol tetracaprylate

CAS Registry Number®

3008-50-2

CAS Name

Pentaerythritol tetracaprylate

Molecular Formula

C37H68O8

Molecular Mass

640.93

Cite this Page

Pentaerythritol tetracaprylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3008-50-2 (retrieved 2024-09-29) (CAS RN: 3008-50-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C37H68O8/c1-5-9-13-17-21-25-33(38)42-29-37(30-43-34(39)26-22-18-14-10-6-2,31-44-35(40)27-23-19-15-11-7-3)32-45-36(41)28-24-20-16-12-8-4/h5-32H2,1-4H3

InChIKey

InChIKey=CFRNDJFRRKMHTL-UHFFFAOYSA-N

SMILES

C(COC(CCCCCCC)=O)(COC(CCCCCCC)=O)(COC(CCCCCCC)=O)COC(CCCCCCC)=O

Canonical SMILES

O=C(OCC(COC(=O)CCCCCCC)(COC(=O)CCCCCCC)COC(=O)CCCCCCC)CCCCCCC

Other Names for this Substance

  • Octanoic acid, 1,1′-[2,2-bis[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl] ester
  • Octanoic acid, neopentanetetrayl ester
  • Octanoic acid, 2,2-bis[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl ester
  • Octanoic acid, tetraester with pentaerythritol
  • Pentaerythritol, tetraoctanoate

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Deleted or Replaced CAS Registry Numbers

1465734-59-1, 1802711-66-5

CAS INSIGHTSTM
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