Description

tert-Butanol-1,1,1,3,3,3-D6 is a deuterated analog of tert-butanol, where six hydrogen atoms are replaced by deuterium, a stable hydrogen isotope. This isotopic labeling is critical for applications requiring minimal spectral interference and enhanced molecular stability in analytical and research settings. It is an essential reagent for scientists and industries engaged in nuclear magnetic resonance (NMR) spectroscopy, mass spectrometry, and mechanistic studies in organic chemistry and pharmaceuticals.

Application

• NMR Spectroscopy Solvent: Used as a deuterated solvent for proton NMR, providing a lock signal and a non-interfering background for analyzing solute molecules.
• Mass Spectrometry Internal Standard: Serves as a stable isotope-labeled internal standard for the accurate quantification of tert-butanol and related compounds via GC-MS or LC-MS.
• Mechanistic & Kinetic Studies: Employed in isotopic labeling experiments to trace reaction pathways, study kinetic isotope effects, and elucidate mechanisms in organic synthesis and catalysis.
• Pharmaceutical Research: Utilized in the development and analysis of active pharmaceutical ingredients (APIs) where deuterium incorporation is used to modify metabolic pathways.
• Polymer Science Research: Acts as a probe or initiator in studies of polymerization mechanisms and polymer structure characterization.
• Chemical Reference Standard: Provides a high-purity, isotopically defined reference material for analytical method development and validation in quality control laboratories.

Basic Information

Product Name	tert-Butanol-1,1,1,3,3,3-D6
CAS No.	53853-65-9
Molecular Formula	C4D6O
Molecular Weight	104.18 g/mol
Synonyms	tert-Butyl alcohol-d6; 2-Methyl-2-propanol-d6; Deuterated tert-butanol; t-Butanol-d6; (CD3)3COD; tert-Butyl-D9-alcohol-d6; 2-Methylpropan-2-ol-d6; Perdeuterated tert-butanol
EINECS	Contact for details

Quality Control

Our tert-Butanol-1,1,1,3,3,3-D6 is produced and handled under strict quality management protocols to ensure exceptional isotopic and chemical purity. Each batch is characterized using advanced analytical techniques, including NMR and mass spectrometry, to confirm deuterium enrichment and chemical identity. A comprehensive Certificate of Analysis (COA) detailing purity, isotopic enrichment, and solvent residue levels is provided with every shipment to support your research and compliance needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, well-ventilated area away from heat and ignition sources. Due to its highly volatile nature, ensure containers are kept upright and sealed when not in use. Recommended storage temperature is 2-8°C for long-term stability, though short-term storage at 15-25°C is acceptable.

Specification

Item	Specification
Appearance	Colorless clear liquid
Identification (IR)	Conforms to structure
Purity (GC)	≥ 99.0%
Deuterium Enrichment (NMR)	≥ 99.5 atom % D
Water Content (Karl Fischer)	≤ 0.1%

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