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1-Phenylethanol-[d4]

General Information
Catalog: BLP-010885
CAS: 90162-44-0
Molecular Formula: C8H6D4O
Molecular Weight: 126.19
Chemical Structure
1-Phenylethanol-[d4]
Description 1-Phenylethanol-[d4] is the labelled analogue of 1-Phenylethanol.
Synonyms sec-Phenethyl-α,β,β,β-d4 alcohol; sec-Phenethyl-1,2,2,2-d4 alcohol
IUPAC Name 1,2,2,2-tetradeuterio-1-phenylethanol
Related CAS 98-85-1 (unlabelled)
Canonical SMILES CC(C1=CC=CC=C1)O
InChI InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/i1D3,7D
InChI Key WAPNOHKVXSQRPX-CWIRFKENSA-N
Boiling Point 204°C at 745 mmHg
Melting Point 19-20°C
Purity 98% atom D
Density 1.045 g/cm3 at 25°C
Storage Store at RT

1-Phenylethanol-[d4] is a deuterium-labeled analog of 1-phenylethanol, commonly used in research and analytical applications. Here are some key applications of 1-Phenylethanol-[d4]:

Stable Isotope Labeling: 1-Phenylethanol-[d4] is utilized in stable isotope labeling experiments for studying metabolic pathways and reaction mechanisms. It helps in tracing the incorporation and transformation of phenylethanol in biochemical processes. This approach provides insights into enzyme activity and metabolic flux.

NMR Spectroscopy: In NMR spectroscopy, 1-Phenylethanol-[d4] serves as an internal standard or reference compound due to its distinct shifts in the NMR spectra. This allows for precise quantification and structural elucidation of neighboring compounds in complex mixtures. The deuterium labeling enhances signal detection in spectroscopic analyses.

Pharmaceutical Research: Researchers use 1-Phenylethanol-[d4] in the study of drug metabolism and pharmacokinetics. It helps in elucidating the metabolic pathways and transformation products of drugs containing phenylethanol moieties. This information is crucial for understanding drug interactions and optimizing pharmacological profiles.

Synthetic Chemistry: In synthetic chemistry, 1-Phenylethanol-[d4] is applied as a labeled reagent for studying reaction mechanisms and kinetics. By incorporating deuterium, chemists can investigate reaction pathways and isotope effects. This aids in the design of more efficient synthetic routes and understanding catalytic processes.

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