3-Hydroxy-2,2-bis(hydroxymethyl)propyl docosanoate

CAS Registry Number®

53161-46-9

CAS Name

3-Hydroxy-2,2-bis(hydroxymethyl)propyl docosanoate

Molecular Formula

C27H54O5

Molecular Mass

458.71

Cite this Page

3-Hydroxy-2,2-bis(hydroxymethyl)propyl docosanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=53161-46-9 (retrieved 2025-01-03) (CAS RN: 53161-46-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    73-74 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H54O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(31)32-25-27(22-28,23-29)24-30/h28-30H,2-25H2,1H3

InChIKey

InChIKey=ZKIVRAADAKTRIO-UHFFFAOYSA-N

SMILES

C(COC(CCCCCCCCCCCCCCCCCCCCC)=O)(CO)(CO)CO

Canonical SMILES

O=C(OCC(CO)(CO)CO)CCCCCCCCCCCCCCCCCCCCC

Other Names for this Substance

  • Docosanoic acid, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester
  • Docosanoic acid, ester with pentaerythritol
  • 3-Hydroxy-2,2-bis(hydroxymethyl)propyl docosanoate
  • Pentaerythritol monobehenate

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