Description

4'-Methylaceto-D3-Phenone is a deuterium-labeled isotopologue of 4'-methylacetophenone, a key intermediate in organic synthesis and analytical chemistry. This compound matters for its utility as a stable, non-radioactive isotopic tracer, enabling precise metabolic and pharmacokinetic studies without altering the chemical behavior of the parent molecule. It is primarily needed by research scientists and process chemists in the pharmaceutical, agrochemical, and material science industries for use in mass spectrometry, NMR spectroscopy, and the development of deuterated active pharmaceutical ingredients (APIs).

Application

• Deuterated Pharmaceutical Intermediate: Used in the synthesis of deuterium-labeled drug candidates to study metabolic pathways and improve drug stability.
• Internal Standard for Analytical Chemistry: Serves as a critical internal standard in quantitative GC-MS and LC-MS analysis for accurate measurement of 4'-methylacetophenone and related compounds.
• NMR Spectroscopy Solvent & Reagent: Employed as a probe or shift reagent in nuclear magnetic resonance (NMR) studies due to its distinct spectroscopic signature.
• Metabolic Pathway Tracing: Facilitates the tracing of biochemical pathways in pharmacological and toxicological research.
• Material Science Research: Used in the development of specialty polymers and organic electronic materials where deuterium incorporation modifies physical properties.
• Agrochemical Development: Acts as a building block for creating isotopically labeled pesticides or herbicides for environmental fate studies.

Basic Information

Product Name	4'-Methylaceto-D3-Phenone
CAS No.	128599-53-1
Molecular Formula	C9H7D3O
Molecular Weight	137.20 g/mol
Synonyms	1-[4-(Methyl-d3)phenyl]ethanone; 4-(Acetyl-d3)toluene; 4-Methylacetophenone-d3; p-Methylacetophenone-d3; Deutero-p-methylacetophenone; 4-Acetyltoluene-d3; (4-Methylphenyl)ethanone-2,2,2-d3; 4'-Methyl-D3-acetophenone
EINECS	Contact for details

Quality Control

Our 4'-Methylaceto-D3-Phenone is manufactured under strict quality systems to ensure high isotopic and chemical purity for research applications. Each batch undergoes rigorous analysis, including NMR for deuterium incorporation and HPLC/GC for chemical purity assessment. A comprehensive Certificate of Analysis (COA) detailing isotopic enrichment (typically >98 atom % D), chemical purity, and identity confirmation is provided with every shipment to ensure traceability and compliance with your research protocols.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at room temperature (15-25°C). Due to its highly volatile nature, ensure containers are securely sealed when not in use and stored away from heat and ignition sources.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC/GC)	≥ 98.0%
Isotopic Purity (NMR)	≥ 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.