Description

3-Pentanone-1,1,1,5,5,5-D6 is a deuterated analog of diethyl ketone, where six hydrogen atoms are replaced by deuterium, making it a valuable stable isotope-labeled compound. This high isotopic purity is critical for applications requiring minimal spectral interference and precise mass spectrometry measurements. It is primarily utilized by researchers and analytical laboratories in the pharmaceutical, agrochemical, and material science sectors for use as an internal standard, solvent, or synthetic intermediate in NMR spectroscopy and MS-based quantitative analysis.

Application

• Internal Standard for Mass Spectrometry (MS): Essential for accurate quantitative analysis in LC-MS and GC-MS methods due to its nearly identical chemical properties but distinct mass.
• NMR Spectroscopy Solvent: Serves as a deuterated solvent for NMR studies, providing a lock signal and minimizing proton interference in spectra.
• Metabolic Pathway Tracing: Used in pharmaceutical and biochemical research to trace and elucidate metabolic pathways and reaction mechanisms.
• Chemical Synthesis Intermediate: Acts as a labeled building block for the synthesis of more complex deuterated compounds in research and development.
• Polymer Science Research: Employed in studies of polymer kinetics and degradation mechanisms where isotopic labeling is required.
• Environmental Analysis: Can be used as a tracer in environmental fate studies and analytical method development.

Basic Information

Product Name	3-Pentanone-1,1,1,5,5,5-D6
CAS No.	53389-25-6
Molecular Formula	C5D6O
Molecular Weight	90.15 g/mol
Synonyms	Diethyl-d6 ketone; Diethyl ketone-d6; 3-Pentanone-d6; D6-Diethyl ketone; Pentan-3-one-d6; Deuterated diethyl ketone; (C2D5)2CO; 1,1,1,5,5,5-Hexadeuteriopentan-3-one
EINECS	Contact for details

Quality Control

Our 3-Pentanone-1,1,1,5,5,5-D6 is produced under strict quality protocols to ensure high chemical and isotopic purity suitable for sensitive analytical applications. Each batch is characterized by NMR, GC-MS, and IR spectroscopy to confirm identity and isotopic enrichment. Certificates of Analysis (COA) detailing purity, assay, deuterium content, and impurity profiles are provided and available upon request to support your quality assurance and regulatory documentation.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, well-ventilated area away from heat sources and incompatible materials. 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 extended stability, though short-term storage at 15-25°C is acceptable.

Specification

Item	Specification
Appearance	Clear, colorless liquid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (GC)	≥ 98.0%
Isotopic Enrichment (D)	≥ 99.0 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.