Octanoic acid, 5-(hydroxymethyl)-2-methyl-4-[[(1-oxooctyl)oxy]methyl]-3-pyridinyl ester

CAS Registry Number®

749-99-5

CAS Name

Octanoic acid, 5-(hydroxymethyl)-2-methyl-4-[[(1-oxooctyl)oxy]methyl]-3-pyridinyl ester

Molecular Formula

C24H39NO5

Molecular Mass

421.57

Cite this Page

Octanoic acid, 5-(hydroxymethyl)-2-methyl-4-[[(1-oxooctyl)oxy]methyl]-3-pyridinyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=749-99-5 (retrieved 2024-12-28) (CAS RN: 749-99-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    69-71 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C24H39NO5/c1-4-6-8-10-12-14-22(27)29-18-21-20(17-26)16-25-19(3)24(21)30-23(28)15-13-11-9-7-5-2/h16,26H,4-15,17-18H2,1-3H3

InChIKey

InChIKey=IVCPRWHRGQGMPM-UHFFFAOYSA-N

SMILES

C(OC(CCCCCCC)=O)C=1C(OC(CCCCCCC)=O)=C(C)N=CC1CO

Canonical SMILES

O=C(OC=1C(=NC=C(C1COC(=O)CCCCCCC)CO)C)CCCCCCC

Other Names for this Substance

  • Octanoic acid, 5-(hydroxymethyl)-2-methyl-4-[[(1-oxooctyl)oxy]methyl]-3-pyridinyl ester
  • Octanoic acid, 4,5-diester with pyridoxol
  • Pyridoxol, 4,5-dioctanoate
  • Pyridoxine 4,5-dioctanoate

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