Description

4-Hydroxy-4-Methyl-2-Pentanone-D12 is a deuterated analog of diacetone alcohol, a versatile solvent and chemical intermediate. This high-purity, isotopically labeled compound is essential for advanced analytical and research applications where precise molecular tracking is required. It is primarily utilized by researchers and manufacturers in the pharmaceutical, agrochemical, and analytical chemistry sectors for applications such as mass spectrometry, NMR spectroscopy, and metabolic studies.

Application

• Internal Standard for Mass Spectrometry (MS): Serves as a critical quantitative reference standard in LC-MS and GC-MS analysis due to its isotopic purity and predictable fragmentation pattern.
• NMR Spectroscopy Solvent & Tracer: Used as a deuterated solvent or a molecular probe in nuclear magnetic resonance studies to investigate reaction mechanisms and molecular structures without proton interference.
• Pharmaceutical Research & Metabolism Studies: Acts as a stable isotope-labeled tracer in pharmacokinetic, pharmacodynamic, and drug metabolism research to track the fate of active pharmaceutical ingredients.
• Chemical Synthesis Intermediate: Employed in the synthesis of more complex deuterated compounds where the introduction of a deuterated acetone-derived moiety is required.
• Polymer Science Research: Utilized in studies involving polymer degradation, cross-linking mechanisms, and the development of specialty polymers where isotopic labeling provides unique insights.
• Environmental & Agrochemical Analysis: Functions as a standard in the detection and quantification of pesticides, herbicides, and environmental contaminants via sophisticated analytical techniques.

Basic Information

Product Name	4-Hydroxy-4-Methyl-2-Pentanone-D12
CAS No.	114253-85-9
Molecular Formula	C6D12O2
Molecular Weight	128.23 g/mol
Synonyms	Diacetone Alcohol-D12; 4-Hydroxy-4-methylpentan-2-one-D12; DAA-D12; 4-Hydroxy-4-methyl-2-pentanone (D12); 2-Methyl-2-pentanol-4-one-D12; (CH3)2C(OH)CH2COCD3; Deuterated Diacetone Alcohol; Hexadeuteroacetone dimer-D12
EINECS	Contact for details

Quality Control

Our 4-Hydroxy-4-Methyl-2-Pentanone-D12 is produced under stringent conditions to ensure exceptional isotopic and chemical purity, meeting the exacting requirements of research and analytical applications. Each batch is supported by a comprehensive Certificate of Analysis (COA) detailing key parameters such as isotopic enrichment (D-atom %), chemical purity, and specific impurity profiles. We adhere to cGMP principles where applicable, and our quality systems are designed to ensure traceability, consistency, and reliability for all our deuterated products.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, well-ventilated place at a controlled room temperature (15-25°C). Due to its highly volatile nature, ensure containers are securely sealed when not in use to prevent evaporation and potential concentration changes. Keep away from heat, sparks, and open flame.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Isotopic Purity (D-atom %)	≥ 98%
Chemical Purity (GC)	≥ 99.0%
Water Content (KF)	≤ 0.5%
Residue on Evaporation	≤ 0.1%

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