Heptanoic acid, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester

CAS Registry Number®

21897-55-2
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CAS Name

Heptanoic acid, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester

Molecular Formula

C12H24O5

Molecular Mass

248.32

Cite this Page

Heptanoic acid, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=21897-55-2 (retrieved 2024-09-15) (CAS RN: 21897-55-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H24O5/c1-2-3-4-5-6-11(16)17-10-12(7-13,8-14)9-15/h13-15H,2-10H2,1H3

InChIKey

InChIKey=PBHMHFVAFKKQIA-UHFFFAOYSA-N

SMILES

C(COC(CCCCCC)=O)(CO)(CO)CO

Canonical SMILES

O=C(OCC(CO)(CO)CO)CCCCCC

Other Names for this Substance

  • Heptanoic acid, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester
  • Pentaerythritol, monoheptanoate
  • 3-Hydroxy-2,2-bis(hydroxymethyl)propyl heptanoate