362049-45-4

362049-45-4 structure
362049-45-4 structure
  • Name: 2,4,6-Tris[(2H3)methyl](2H2)phenol
  • Chemical Name: 2,4,6-trimethylphenol-d11
  • CAS Number: 362049-45-4
  • Molecular Formula: C9HD11O
  • Molecular Weight: 147.259
  • Catalog: Research Areas Others
  • Create Date: 2016-10-23 11:57:15
  • Modify Date: 2024-01-07 08:26:50
  • 2,4,6-Trimethylphenol-d11 is the deuterium labeled 2,4,6-Trimethylphenol[1]. 2,4,6-Trimethylphenol is a probe compound shown to react mainly with organic matter (3DOM*). 2,4,6-Trimethylphenol is rapidly oxidized by singlet oxygen in aqueous solution[2][3].

Name 2,4,6-trimethylphenol-d11
Synonyms Phenol-3,5-d, 2,4,6-tri(methyl-d)-
2,4,6-Tris[(H)methyl](H)phenol
2,3-dimethoxyphenethylamine
Description 2,4,6-Trimethylphenol-d11 is the deuterium labeled 2,4,6-Trimethylphenol[1]. 2,4,6-Trimethylphenol is a probe compound shown to react mainly with organic matter (3DOM*). 2,4,6-Trimethylphenol is rapidly oxidized by singlet oxygen in aqueous solution[2][3].
Related Catalog
In Vitro Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1].
References

[1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216.  

[2]. Rosado-Lausell SL, et al. Roles of singlet oxygen and triplet excited state of dissolved organic matter formed by different organic matters in bacteriophage MS2 inactivation. Water Res. 2013;47(14):4869-4879.  

[3]. Paul G.Tratnyek, et al. Photo-oxidation of 2,4,6-trimethylphenol in aqueous laboratory solutions and natural waters: kinetics of reaction with singlet oxygen. Journal of Photochemistry and Photobiology A: Chemistry. Volume 84, Issue 2, 6 December 1994, Pages 153-160.

[4]. Libby RD, et al. Defining the involvement of HOCl or Cl2 as enzyme-generated intermediates in chloroperoxidase-catalyzed reactions. J Biol Chem. 1992;267(3):1769-1775.  

Density 1.0±0.1 g/cm3
Boiling Point 215.8±9.0 °C at 760 mmHg
Molecular Formula C9HD11O
Molecular Weight 147.259
Flash Point 96.7±8.4 °C
Exact Mass 147.157852
PSA 20.23000
LogP 2.86
Vapour Pressure 0.1±0.4 mmHg at 25°C
Index of Refraction 1.536