CAS 107473-33-6|2-Phenylethanol-d4

Introduction：Basic information about CAS 107473-33-6|2-Phenylethanol-d4, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Name2-Phenylethanol-d4
CAS Number107473-33-6Molecular Weight126.18900
Density/Boiling Point/
Molecular FormulaC8H6D4OMelting Point/
MSDS/Flash Point/

Names

Name2-phenylethan-1,1,2,2-d4-ol
SynonymMore Synonyms

2-Phenylethanol-d4 BiologicalActivity

Description2-Phenylethanol-d4 is the deuterium labeled 2-Phenylethanol[1]. 2-Phenylethanol (Phenethyl alcohol), extracted from rose, carnation, hyacinth, Aleppo pine, orange blossom and other organisms, is a colourless liquid. It has a pleasant floral odor and also an autoantibiotic produced by the fungus Candida albicans[2]. It is used as an additive in cigarettes and also used as a preservative in soaps due to its stability in basic conditions.
Related CatalogResearch Areas >>InfectionSignaling Pathways >>Anti-infection >>Bacterial
In VitroStable 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]. Lingappa BT, et al. Phenethyl alcohol and tryptophol: autoantibiotics produced by the fungus Candida albicans. Science. 1969 Jan 10;163(3863):192-4.  

Chemical & Physical Properties

Molecular FormulaC8H6D4O
Molecular Weight126.18900
Exact Mass126.09800
PSA20.23000
LogP1.22140
InChIKeyWRMNZCZEMHIOCP-KXGHAPEVSA-N
SMILESOCCc1ccccc1

Synonyms

1,1,2,2-tetradeuterio-2-phenyl-ethanol
2-phenylethyl mercaptan
1,2-phenylethylmercaptane
Benzeneethanethiol
2-phenylethanol-1,1,2,2-d4
Phenethyl mercaptan
2-phenyl-ethanethiol
Phenylethyl mercaptan
2-mercaptophenylethane
1.1.2.2-Tetradeutero-2-phenylethylalkohol
2-phenyl-1-ethanethiol
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