Description

Isophorone-[2,4,4,6,6-D5] is a deuterated analog of the common solvent and intermediate isophorone, specifically labeled at five positions. This high-purity, stable isotope-labeled compound is essential for advanced analytical and research applications where precise molecular tracking is required. It is primarily utilized by analytical chemists and researchers in the pharmaceutical, agrochemical, and material science industries for use as an internal standard in mass spectrometry, NMR spectroscopy, and metabolic studies.

Application

• Internal Standard for Quantitative Analysis: Serves as a critical deuterated internal standard in GC-MS and LC-MS methods for the accurate quantification of isophorone and related compounds in complex matrices.
• NMR Spectroscopy: Used as a solvent or analytical tracer in Nuclear Magnetic Resonance (NMR) studies to investigate molecular structures and reaction mechanisms.
• Pharmaceutical Research: Employed in drug metabolism and pharmacokinetics (DMPK) studies to trace the fate of active pharmaceutical ingredients and their metabolites.
• Environmental Analysis: Aids in the detection and quantification of isophorone and its derivatives in environmental samples for monitoring and regulatory compliance.
• Chemical Synthesis: Acts as a labeled starting material or intermediate in the synthesis of more complex deuterated compounds for research purposes.
• Material Science: Used in the development and analysis of polymers, coatings, and advanced materials where isotopic labeling provides insights into material properties and degradation pathways.

Basic Information

Product Name	Isophorone-[2,4,4,6,6-D5]
CAS No.	1262769-87-8
Molecular Formula	C9H9D5O
Molecular Weight	139.23 g/mol
Synonyms	3,5,5-Trimethyl-2-cyclohexen-1-one-d5; 3,3,5-Trimethyl-2-cyclohexene-1-one-d5; Isophorone-d5; Deuterated Isophorone; Isoacetophorone-d5; 1,1,3-Trimethyl-3-cyclohexene-5-one-d5; 3,5,5-Trimethyl-2-cyclohexenone-d5
EINECS	Contact for details

Quality Control

Our Isophorone-[2,4,4,6,6-D5] is manufactured under strict quality systems to ensure the highest isotopic and chemical purity for research applications. Each batch is rigorously analyzed using advanced techniques including NMR, GC-MS, and HPLC. A comprehensive Certificate of Analysis (COA) detailing isotopic enrichment (typically ≥98 atom % D), chemical purity, and analytical results is provided with every shipment to guarantee traceability and compliance with your research protocols.

Storage

Preserve in a tightly closed container, protected from light. Store at controlled room temperature (15-25°C) in a cool, dry, and well-ventilated area. Keep away from heat sources and open flame. For long-term storage under an inert atmosphere is recommended to maintain optimal stability.

Specification

Item	Specification
Appearance	Clear Colorless to Pale Yellow Liquid
Identification (NMR)	Conforms to Structure
Isotopic Purity	≥98 atom % D
Chemical Purity (GC)	≥98%
Water Content (KF)	≤0.5%

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