Description

2‐Phenyl‐D5‐Ethyl Isothiocyanate CAS NO 912627-98-6 is a deuterium-labeled isotopologue of phenyl ethyl isothiocyanate, a compound of significant interest in analytical and synthetic chemistry. This stable isotope-labeled standard is essential for ensuring accuracy and reliability in quantitative mass spectrometry analyses, where it serves as an internal reference to correct for variations in sample preparation and instrument response. It is primarily utilized by researchers and quality control laboratories in the pharmaceutical, agrochemical, and environmental testing sectors for method development, metabolic studies, and precise quantification.

Application

• Internal Standard for LC-MS/MS: Used as a quantitative reference standard in liquid chromatography-tandem mass spectrometry for the accurate measurement of its non-deuterated counterpart or related metabolites in complex biological matrices.
• Metabolic Pathway Tracing: Employed in pharmacokinetic and drug metabolism studies to track the distribution, biotransformation, and excretion of phenyl ethyl isothiocyanate derivatives.
• Method Development and Validation: Critical for developing and validating robust analytical methods in compliance with regulatory guidelines (e.g., FDA, ICH) for pharmaceutical impurity profiling and bioanalysis.
• Environmental Analysis: Applied in the detection and quantification of isothiocyanate compounds or their degradation products in environmental samples.
• Synthetic Intermediate: Serves as a deuterated building block in the synthesis of more complex labeled compounds for research purposes.
• Food and Nutraceutical Research: Used in studies investigating the bioavailability and health effects of dietary isothiocyanates.

Basic Information

Product Name	2‐Phenyl‐D5‐Ethyl Isothiocyanate
CAS No.	912627-98-6
Molecular Formula	C9H4D5NS
Molecular Weight	178.27 g/mol
Synonyms	Phenethyl-D5 isothiocyanate; (2,2,3,4,5,6-D5)Phenethyl isothiocyanate; 2-Phenylethyl-D5 isothiocyanate; β-Phenethyl-D5 isothiocyanate; PEITC-D5; 1-Isothiocyanato-2-phenylethane-D5; Benzene-D5, (2-isothiocyanatoethyl)-; (2-Isothiocyanatoethyl)benzene-D5
EINECS	Contact for details

Quality Control

Every batch of 2‐Phenyl‐D5‐Ethyl Isothiocyanate is manufactured and analyzed under strict quality management systems. We guarantee high chemical and isotopic purity, supported by comprehensive analytical data including NMR, HPLC, and mass spectrometry. A detailed Certificate of Analysis (COA) is provided with each shipment, documenting purity, isotopic enrichment, and confirming the absence of significant impurities. Our quality commitment ensures the material is suitable for demanding applications in regulated research and development environments.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at 2-8°C. This product is hygroscopic (moisture-sensitive); ensure the container is sealed under an inert atmosphere after each use to maintain stability and prevent degradation.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Identification (MS)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Isotopic Enrichment	≥ 98 atom % D
Water Content (KF)	≤ 0.5%

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