Description

2-Phenyl-D5-Ethan-1,1,2,2-D4-Ol CAS NO 42950-74-3 is a high-purity, deuterium-labeled analog of phenethyl alcohol, featuring a high degree of isotopic substitution (D5 and D4) on the phenyl ring and ethane backbone. This compound is critical for applications requiring precise internal standards in mass spectrometry, enabling accurate quantification and minimizing matrix effects in complex analyses. It is primarily utilized by analytical chemists and researchers in pharmaceutical development, environmental testing, and metabolomics studies where superior sensitivity and reliability are paramount.

Application

• Internal Standard for Mass Spectrometry (MS): Serves as a high-fidelity quantitative standard in GC-MS and LC-MS/MS methods for analyzing phenethyl alcohol and related compounds.
• Pharmaceutical Research & Drug Metabolism: Used in pharmacokinetic (PK) and absorption, distribution, metabolism, and excretion (ADME) studies to track drug compounds and their metabolites.
• Forensic and Clinical Toxicology: Enables precise measurement of target analytes in biological matrices such as blood, urine, and tissue samples.
• Flavor and Fragrance Analysis: Acts as a deuterated standard for the accurate quantification of natural and synthetic phenethyl alcohol in complex flavor and fragrance profiles.
• Environmental Analysis: Facilitates the detection and quantification of trace environmental pollutants and their degradation products.
• NMR Spectroscopy Solvent & Reagent: Used as a deuterated solvent or reagent in nuclear magnetic resonance (NMR) spectroscopy experiments.
• Isotope Dilution Analysis: Essential for high-accuracy isotope dilution techniques in analytical chemistry.
• Synthetic Intermediate: Employed in the synthesis of other deuterium-labeled fine chemicals and advanced materials.

Basic Information

Product Name	2-Phenyl-D5-Ethan-1,1,2,2-D4-Ol
CAS No.	42950-74-3
Molecular Formula	C8D9O
Molecular Weight	129.22 g/mol
Synonyms	Phenethyl-d9 Alcohol; 2-Phenylethanol-d9; Benzene-d5, 2-(1,1,2,2-tetradeutero-2-hydroxyethyl)-; 2-(2,3,4,5,6-Pentadeuteriophenyl)ethan-1,1,2,2-d4-ol; Perdeuterated Phenethyl Alcohol; (2,3,4,5,6-Pentadeuteriophenyl)(1,1,2,2-tetradeuterio)ethanol; d9-Phenethyl Alcohol; 2-Phenylethyl-d9 Alcohol
EINECS	Contact for details

Quality Control

Our deuterated compounds are produced under strict quality control protocols to ensure exceptional isotopic and chemical purity. Each batch is characterized using advanced analytical techniques including NMR, GC-MS, and HPLC to confirm isotopic enrichment and the absence of protiated impurities. A comprehensive Certificate of Analysis (COA) detailing isotopic purity (atom % D), chemical purity, and analytical results is provided with every shipment. We adhere to cGMP principles where applicable to support regulatory filings in pharmaceutical and diagnostic applications.

Storage

Preserve in a tightly closed container, protected from light. Due to its highly volatile nature, store in a cool, well-ventilated place at a recommended temperature of 2-8°C to minimize evaporation and maintain stability. Keep the container tightly sealed when not in use to prevent moisture absorption and contamination.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (GC)	≥ 98.0%
Isotopic Purity (NMR/MS)	≥ 98 atom % D
Chemical Purity (HPLC)	≥ 99.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.