Description

Ethyl-Alpha,α-D2-Benzene CAS NO 1861-01-4 is a deuterium-labeled derivative of ethylbenzene, where two hydrogen atoms at the alpha position are replaced with deuterium (D), a stable hydrogen isotope. This isotopic labeling is critical for applications requiring precise molecular tracking and analysis without altering the fundamental chemical behavior. It is an essential tool for researchers and manufacturers in the pharmaceutical, agrochemical, and advanced materials sectors who require high-purity, isotopically-enriched intermediates for spectroscopic studies, reaction mechanism elucidation, and the synthesis of labeled compounds.

Application

• Pharmaceutical Research & Development: Used as an internal standard or tracer in Mass Spectrometry (MS) and Nuclear Magnetic Resonance (NMR) for drug metabolism and pharmacokinetics (DMPK) studies.
• Analytical Chemistry: Serves as a critical reference standard in quantitative analysis, ensuring accuracy in gas chromatography (GC) and liquid chromatography (LC) methods.
• Mechanistic Studies: Employed to investigate reaction pathways and kinetics in organic synthesis and catalysis, leveraging the kinetic isotope effect (KIE).
• Synthesis of Labeled Compounds: Acts as a key building block for the preparation of more complex deuterated molecules used in various research fields.
• Material Science: Potential use in the development of organic electronic materials where isotopic purity can influence physical properties.

Basic Information

Product Name	Ethyl-Alpha,α-D2-Benzene
CAS No.	1861-01-4
Molecular Formula	C8H8D2
Molecular Weight	108.19 g/mol
Synonyms	Ethyl-α,α-d2-benzene; (Dideuteroethyl)benzene; 1,1-Dideuteroethylbenzene; Ethylbenzene-α,α-d2; Ethylbenzene-d2 (α,α); Benzene, (1,1-dideuteroethyl)-; Ethyl-d2-benzene (alpha,alpha)
EINECS	Contact for details

Quality Control

Every batch of Ethyl-Alpha,α-D2-Benzene is produced and analyzed under strict quality protocols to ensure isotopic and chemical purity meets the exacting standards of research and industrial applications. Our quality assurance includes comprehensive analysis via GC, NMR, and MS to confirm deuterium enrichment and chemical identity. A detailed Certificate of Analysis (COA) is provided with each shipment, documenting purity, isotopic enrichment, and other critical parameters.

Storage

Preserve in a tightly closed container, protected from light. Due to its highly volatile nature, store in a cool, well-ventilated area, ideally at 2-8°C or as specified on the label. Keep away from heat, sparks, and open flame.

Specification

Item	Specification
Appearance	Colorless clear liquid
Identification (IR / NMR)	Conforms to structure
Purity (GC)	≥ 98.0%
Isotopic Enrichment (D, NMR/MS)	≥ 98 atom % D
Water Content (KF)	≤ 0.1%

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