Description

Isophorone (3-Methyl-D3, 2,4,4,6,6-D5) is a deuterated analog of the common industrial solvent isophorone, specifically designed for research and analytical applications requiring stable isotope labeling. This compound is essential for advanced spectroscopic studies, reaction mechanism elucidation, and as an internal standard in quantitative mass spectrometry. It is primarily utilized by analytical chemists, pharmaceutical researchers, and material scientists in the fields of NMR spectroscopy, metabolic research, and high-precision chemical analysis.

Application

• NMR Spectroscopy Solvent & Internal Standard: Used as a deuterated solvent or chemical shift reference in nuclear magnetic resonance (NMR) analysis.
• Mass Spectrometry Internal Standard: Serves as a stable, isotopically labeled internal standard for accurate quantification in LC-MS and GC-MS methods.
• Mechanistic Studies & Kinetic Isotope Effects: Employed in organic chemistry research to study reaction pathways and mechanisms using deuterium labeling.
• Pharmaceutical Metabolism & Tracing: Used in the development and analysis of deuterated active pharmaceutical ingredients (APIs) and metabolic tracing studies.
• Polymer & Material Science Research: Acts as a labeled precursor or probe in the synthesis and analysis of advanced polymers and materials.

Basic Information

Product Name	Isophorone (3-Methyl-D3, 2,4,4,6,6-D5)
CAS No.	14397-59-2
Molecular Formula	C9H11D8O
Molecular Weight	153.27 g/mol
Synonyms	3,5,5-Trimethyl-2-cyclohexen-1-one (methyl-D3, 2,4,4,6,6-D5); Deuterated Isophorone; Isoforone-d8; 3,3,5-Trimethyl-2-cyclohexen-1-one-d8; Isophorone-d8; 3-Methyl-D3-2-cyclohexen-1-one-2,4,4,6,6-D5; 3,3,5-Trimethylcyclohex-2-enone-d8
EINECS	Contact for details

Quality Control

Our deuterated chemicals are produced and tested to meet the stringent requirements of research and analytical applications. Each batch of Isophorone (3-Methyl-D3, 2,4,4,6,6-D5) undergoes rigorous analysis, including NMR and mass spectrometry, to confirm isotopic purity and chemical identity. A comprehensive Certificate of Analysis (COA) detailing isotopic enrichment (D-atom %), chemical purity, and analytical results is provided with every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, well-ventilated area. Due to its highly volatile nature, ensure containers are kept tightly sealed when not in use to prevent evaporation and potential concentration changes. Recommended storage temperature is 2-8°C for long-term stability.

Specification

Item	Specification
Appearance	Clear, colorless to pale yellow liquid
Identification (IR / NMR)	Conforms to structure
Isotopic Purity (D-atom %)	≥ 98% (by NMR/MS)
Chemical Purity (GC)	≥ 98.0%
Water Content (KF)	≤ 0.5%

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