1-Methoxy-4-(2H3)methylbenzene

Modify Date: 2024-01-02 22:22:17

1-Methoxy-4-(2H3)methylbenzene Structure
1-Methoxy-4-(2H3)methylbenzene structure
Common Name 1-Methoxy-4-(2H3)methylbenzene
CAS Number 14202-49-4 Molecular Weight 125.183
Density 0.9±0.1 g/cm3 Boiling Point 174.0±0.0 °C at 760 mmHg
Molecular Formula C8H7D3O Melting Point N/A
MSDS N/A Flash Point 53.3±0.0 °C

 Use of 1-Methoxy-4-(2H3)methylbenzene


4-Methylanisole-d3 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].

 Names

Name 1-methoxy-4-(trideuteriomethyl)cyclohexane
Synonym More Synonyms

 1-Methoxy-4-(2H3)methylbenzene Biological Activity

Description 4-Methylanisole-d3 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.  

 Chemical & Physical Properties

Density 0.9±0.1 g/cm3
Boiling Point 174.0±0.0 °C at 760 mmHg
Molecular Formula C8H7D3O
Molecular Weight 125.183
Flash Point 53.3±0.0 °C
Exact Mass 125.091995
PSA 9.23000
LogP 2.59
Vapour Pressure 1.7±0.3 mmHg at 25°C
Index of Refraction 1.494
Storage condition 2-8°C

 Synonyms

Methyl 4-(H)methylphenyl ether
4-Trideuteriomethyl-anisol
4-trideuteriomethyl-anisole
1-Methoxy-4-(H)methylbenzene
1-methoxy-4-trideuteriomethyl-benzene
1-Methoxy-4-methyl-d3-benzene
Benzene, 1-methoxy-4-(methyl-d)-