Description

Allylbenzene-2,3,4,5,6-D5 is a deuterated isotopologue of allylbenzene, where five hydrogen atoms on the aromatic ring are replaced with deuterium, a stable hydrogen isotope. This high isotopic purity compound is essential as a non-radioactive tracer and an internal standard in quantitative mass spectrometry and NMR spectroscopy, providing critical analytical precision. It is primarily needed by researchers and manufacturers in the pharmaceutical, agrochemical, and advanced materials sectors for metabolic studies, reaction mechanism elucidation, and quality control of complex chemical processes.

Application

• Internal Standard for Mass Spectrometry (MS): Used as a quantitative reference standard in GC-MS and LC-MS analysis for accurate measurement of non-deuterated allylbenzene or related metabolites in complex matrices.
• NMR Spectroscopy Solvent & Tracer: Serves as a useful probe in deuterium NMR studies for investigating reaction kinetics, molecular structures, and metabolic pathways without signal interference from protons.
• Pharmaceutical Research & Development: Employed in drug metabolism and pharmacokinetics (DMPK) studies to track the fate of drug molecules and their metabolites in biological systems.
• Organic Synthesis & Mechanistic Studies: Acts as a labeled starting material or intermediate in the synthesis of more complex deuterated compounds, aiding in the elucidation of chemical reaction mechanisms.
• Polymer Science & Material Research: Utilized in the development and analysis of specialty polymers and materials where tracking specific molecular fragments is required.
• Environmental & Geochemical Analysis: Applied as a tracer in environmental fate studies to monitor the degradation and movement of aromatic compounds in ecosystems.

Basic Information

Product Name	Allylbenzene-2,3,4,5,6-D5
CAS No.	126245-60-1
Molecular Formula	C9H5D5
Molecular Weight	123.22 g/mol
Synonyms	Allylbenzene-d5; (Prop-2-en-1-yl)benzene-2,3,4,5,6-d5; Benzene-d5, (2-propenyl)-; 3-Phenylpropene-d5; 1-Propene, 3-phenyl-d5; 2-Propenylbenzene-d5; Phenylallyl-d5; 3-Phenyl-1-propene-d5
EINECS	Contact for details

Quality Control

Every batch of Allylbenzene-2,3,4,5,6-D5 undergoes rigorous analytical testing to ensure it meets the high-purity standards required for sensitive research and analytical applications. Our quality commitment includes verification of isotopic purity (D-enrichment) and chemical purity by advanced chromatographic and spectroscopic methods. A comprehensive Certificate of Analysis (COA) detailing specific results for each parameter is provided with every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, well-ventilated area at a controlled room temperature (typically 15-25°C). Due to its highly volatile nature, ensure containers are securely sealed when not in use and stored upright. Keep away from heat, sparks, and open flames.

Specification

Item	Specification
Appearance	Clear, colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (GC)	≥ 98.0% (chemical purity)
Isotopic Purity (D-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.