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

Modify Date: 2024-01-07 08:26:50

2,4,6-Tris[(2H3)methyl](2H2)phenol Structure
2,4,6-Tris[(2H3)methyl](2H2)phenol structure
Common Name 2,4,6-Tris[(2H3)methyl](2H2)phenol
CAS Number 362049-45-4 Molecular Weight 147.259
Density 1.0±0.1 g/cm3 Boiling Point 215.8±9.0 °C at 760 mmHg
Molecular Formula C9HD11O Melting Point N/A
MSDS N/A Flash Point 96.7±8.4 °C

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


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].

 Names

Name 2,4,6-trimethylphenol-d11
Synonym More Synonyms

 2,4,6-Tris[(2H3)methyl](2H2)phenol 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
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

 Synonyms

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