2,4,6-Tris[(2H3)methyl](2H2)phenol

Names

[ CAS No. ]:
362049-45-4

[ Name ]:
2,4,6-Tris[(2H3)methyl](2H2)phenol

[Synonym ]:
Phenol-3,5-d, 2,4,6-tri(methyl-d)-
2,4,6-Tris[(H)methyl](H)phenol
2,3-dimethoxyphenethylamine

Biological Activity

[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]:

Research Areas >> Others
Signaling Pathways >> Others >> Others

[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.  

Chemical & Physical Properties

[ 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


Related Compounds