Description

2-Methyl-D3-3-Butyn-1,1,1-D3-2-Ol CAS NO 57444-27-6 is a deuterium-labeled isotopologue of 2-methyl-3-butyn-2-ol, a key building block in organic synthesis. This compound is of critical importance for its use as a stable isotope-labeled internal standard in analytical chemistry, enabling precise quantification and metabolic studies. It is primarily needed by researchers and manufacturers in the pharmaceutical, agrochemical, and advanced materials sectors for applications in drug development, environmental analysis, and mechanistic studies.

Application

• As a stable isotope-labeled internal standard for accurate quantification via GC-MS or LC-MS in bioanalytical and pharmacokinetic studies.
• Use in deuterium-labeling experiments for mechanistic investigations and reaction pathway elucidation in organic chemistry research.
• A key synthetic intermediate for the preparation of deuterated pharmaceuticals and active pharmaceutical ingredients (APIs) to study drug metabolism.
• Employed in the synthesis of deuterated agrochemicals for tracing environmental fate and metabolic pathways.
• Application in material science for the development of deuterated polymers or specialty chemicals with modified physical properties.
• Used as a tracer compound in environmental monitoring and analytical method development.

Basic Information

Product Name	2-Methyl-D3-3-Butyn-1,1,1-D3-2-Ol
CAS No.	57444-27-6
Molecular Formula	C5H5D6O
Molecular Weight	91.17 g/mol
Synonyms	2-Methyl-3-butyn-2-ol-d6; 3-Butyn-2-ol, 2-methyl-, 1,1,1,3,3,3-d6; Deuteronated 2-Methyl-3-butyn-2-ol; 2-Methyl-3-butyn-2-ol (hexadeuterated); 2-Methylbut-3-yn-2-ol-d6; 2-Methyl-3-butyn-2-ol (D6); 3-Butyn-2-ol, 2-methyl-, hexadeuterated; 2-Methyl-3-butyn-2-ol-d6 (major)
EINECS	Contact for details

Quality Control

Our deuterated compounds are produced under strict quality control protocols to ensure high isotopic purity and chemical integrity. Each batch is characterized by NMR, GC-MS, and/or HPLC to confirm deuterium incorporation and chemical purity. Certificates of Analysis (COA) detailing isotopic enrichment (e.g., D atom %), chemical purity, and analytical data are provided with every shipment to support your research and regulatory requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at room temperature (15-25°C). This material is hygroscopic (moisture-sensitive) and should be handled under an inert atmosphere to maintain stability.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (NMR)	Conforms to structure
Purity (GC or HPLC)	≥ 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.