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

CAS Registry Number®

78-23-9

CAS Name

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

Molecular Formula

C23H46O5

Molecular Mass

402.61

Cite this Page

3-Hydroxy-2,2-bis(hydroxymethyl)propyl octadecanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=78-23-9 (retrieved 2024-11-22) (CAS RN: 78-23-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    79 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C23H46O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)28-21-23(18-24,19-25)20-26/h24-26H,2-21H2,1H3

InChIKey

InChIKey=TXQVDVNAKHFQPP-UHFFFAOYSA-N

SMILES

C(COC(CCCCCCCCCCCCCCCCC)=O)(CO)(CO)CO

Canonical SMILES

O=C(OCC(CO)(CO)CO)CCCCCCCCCCCCCCCCC

Other Names for this Substance

  • Octadecanoic acid, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester
  • Stearic acid, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester
  • Pentaerythritol, monostearate
  • 3-Hydroxy-2,2-bis(hydroxymethyl)propyl octadecanoate
  • Gruenau S

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration