Description

tert-Butanol-1,1,1-D3 is a deuterated analog of tert-butanol, specifically labeled on the methyl groups. This compound is a high-purity, isotopically enriched chemical standard essential for advanced analytical and synthetic chemistry. It is primarily used by researchers and manufacturers in pharmaceutical development, spectroscopy, and organic synthesis who require precise molecular probes. The deuterium labeling provides distinct spectral properties and kinetic isotope effects critical for mechanistic studies and analytical method development.

Application

• NMR Spectroscopy: Used as an internal standard or solvent for nuclear magnetic resonance studies due to its distinct spectral signature.
• Pharmaceutical Research: Serves as a labeled intermediate in the synthesis of deuterated drug candidates for metabolic and pharmacokinetic (DMPK) studies.
• Mass Spectrometry: Employed as a reference standard or matrix in MS-based quantitative analysis for enhanced detection specificity.
• Mechanistic Organic Chemistry: Utilized to study reaction mechanisms and kinetic isotope effects (KIEs) in catalytic and synthetic processes.
• Polymer Science: Acts as a chain transfer agent or initiator in the synthesis of labeled polymers for material property analysis.
• Analytical Chemistry: Functions as a high-purity calibrant or reagent in various chromatographic and spectroscopic methods.

Basic Information

Product Name	tert-Butanol-1,1,1-D3
CAS No.	33500-15-1
Molecular Formula	C4H7D3O
Molecular Weight	77.13 g/mol
Synonyms	tert-Butyl alcohol-d3; 2-Methyl-2-propanol-1,1,1-d3; Deuterated tert-butanol; (CD3)3COH; tert-Butanol-d3; 2-Methylpropan-2-ol-d3; tert-Butyl-d3 alcohol; Perdeuterated tert-butanol (methyl-d3)
EINECS	Contact for details

Quality Control

Our tert-Butanol-1,1,1-D3 is produced under strict quality management systems to ensure batch-to-batch consistency and high isotopic purity. Each lot is accompanied by a comprehensive Certificate of Analysis (COA) detailing key parameters such as isotopic enrichment (D atom %), chemical purity, and specific tests. We support research and industrial applications requiring reliable and traceable labeled compounds, with specifications available to meet project-specific needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, well-ventilated place away from heat and ignition sources. Due to its highly volatile nature, keep containers tightly sealed when not in use. Recommended storage temperature is 2-8°C for long-term stability.

Specification

Item	Specification
Appearance	Colorless liquid
Identification (IR)	Conforms
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.