350818-57-4

350818-57-4 structure
350818-57-4 structure
  • Name: 1-Methoxy-4-methyl(2H4)benzene
  • Chemical Name: 4-methoxytoluene-2,3,5,6-d4
  • CAS Number: 350818-57-4
  • Molecular Formula: C8H6D4O
  • Molecular Weight: 126.189
  • Catalog: Research Areas Others
  • Create Date: 2018-07-22 19:02:40
  • Modify Date: 2024-01-02 16:07:10
  • 4-Methylanisole-d4 is the deuterium labeled 4-Methylanisole[1]. 4-Methylanisole (4-Methoxytoluene) is food flavoring agent and can be naturally found in Ylang Ylang fragrance oil[2].

Name 4-methoxytoluene-2,3,5,6-d4
Synonyms 1-Methoxy-4-methyl(H)benzene
Benzene-1,2,4,5-d, 3-methoxy-6-methyl-
Methyl 4-methyl(H)phenyl ether
Description 4-Methylanisole-d4 is the deuterium labeled 4-Methylanisole[1]. 4-Methylanisole (4-Methoxytoluene) is food flavoring agent and can be naturally found in Ylang Ylang fragrance oil[2].
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]. Esther F A Brandon, et al. Implementation of Toxicokinetics in Toxicity studies--Toxicokinetics of 4-methylanisole and Its Metabolites in Juvenile and Adult Rats. Regul Toxicol Pharmacol. 2015 Oct;73(1):55-64.  

Density 0.9±0.1 g/cm3
Boiling Point 174.0±0.0 °C at 760 mmHg
Molecular Formula C8H6D4O
Molecular Weight 126.189
Flash Point 53.3±0.0 °C
Exact Mass 126.098274
PSA 9.23000
LogP 2.59
Vapour Pressure 1.7±0.3 mmHg at 25°C
Index of Refraction 1.494