Description

3-Pentanone-2,2,4,4-D4 is a deuterated analog of diethyl ketone, where four hydrogen atoms are replaced with deuterium, a stable isotope of hydrogen. This isotopic labeling is critical for applications requiring non-radioactive tracers and internal standards in advanced analytical techniques. It is an essential material for researchers and manufacturers in the pharmaceutical, agrochemical, and analytical chemistry sectors who require precise molecular tracking and spectroscopic studies.

Application

• As a deuterated internal standard for the quantification of 3-pentanone and related compounds in Gas Chromatography-Mass Spectrometry (GC-MS) and Liquid Chromatography-Mass Spectrometry (LC-MS).
• A key starting material or intermediate in the synthesis of deuterium-labeled pharmaceutical compounds for drug metabolism and pharmacokinetics (DMPK) studies.
• Used in NMR spectroscopy as a solvent or chemical shift reference, leveraging the absence of proton signals at the labeled positions.
• Employed in Fourier-transform infrared (FTIR) spectroscopy research to study vibrational modes and isotopic effects.
• Essential for mechanistic studies in organic and organometallic chemistry to trace reaction pathways.
• Used in the development and calibration of analytical instruments and methods in environmental and industrial testing labs.

Basic Information

Product Name	3-Pentanone-2,2,4,4-D4
CAS No.	6400-97-1
Molecular Formula	C5D4H4O
Molecular Weight	90.15 g/mol
Synonyms	Diethyl-d4 ketone; Diethyl ketone-d4; 2,2,4,4-Tetradeuterio-3-pentanone; [2H4]-3-Pentanone; Pentan-3-one-2,2,4,4-d4; DEK-d4; (C2D5)2CO; 3-Oxopentane-2,2,4,4-d4
EINECS	Contact for details

Quality Control

Every batch of 3-Pentanone-2,2,4,4-D4 is produced and tested under stringent quality management protocols to ensure high isotopic and chemical purity for research and industrial use. Our products undergo rigorous quality testing to ensure compliance with industry standards. Certificates of Analysis (COA) detailing isotopic enrichment (D-atom %), chemical purity, and specific analytical results are available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, well-ventilated area away from heat sources and open flame. 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	Colorless clear liquid
Identification (IR)	Conforms to structure
Purity (GC)	≥ 98.0%
Isotopic Purity (D-atom %)	≥ 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.