Description

tert-Butyl-D9 Acetate is a deuterated isotopologue of tert-butyl acetate, where nine hydrogen atoms are replaced by deuterium, a stable hydrogen isotope. This high isotopic purity makes it an essential internal standard and tracer in quantitative mass spectrometry and nuclear magnetic resonance (NMR) spectroscopy, ensuring analytical accuracy and reliability. It is primarily needed by analytical laboratories, pharmaceutical R&D departments, and chemical manufacturers engaged in metabolic studies, reaction mechanism elucidation, and quality control of complex mixtures.

Application

• Internal Standard for GC-MS and LC-MS analysis in pharmaceutical and environmental testing.
• Deuterated Tracer in reaction kinetics and mechanistic studies in organic chemistry research.
• NMR Spectroscopy solvent and shift reference for structural analysis of organic compounds.
• Metabolite identification and quantification in drug metabolism and pharmacokinetics (DMPK) studies.
• Isotope dilution mass spectrometry (IDMS) for achieving high-precision quantitative results.
• Labeling reagent for the synthesis of more complex deuterated compounds and active pharmaceutical ingredients (APIs).

Basic Information

Product Name	tert-Butyl-D9 Acetate
CAS No.	358731-03-0
Molecular Formula	C6D9H3O2
Molecular Weight	131.21 g/mol
Synonyms	tert-Butyl-d9 Acetate; Acetic-d3 Acid tert-Butyl-d9 Ester; 1,1-Dimethylethyl-d9 Acetate; (1,1,1,2,2,3,3,3-Nonadeuterio-2-methylpropan-2-yl) Acetate; Deuterated tert-Butyl Acetate; tert-Butyl Acetate-d9; t-Butyl-D9 Acetate; Perdeuterated tert-Butyl Acetate
EINECS	Contact for details

Quality Control

Our tert-Butyl-D9 Acetate is produced under strict quality management systems. Each batch undergoes comprehensive analytical testing, including NMR and GC-MS, to confirm isotopic purity and chemical identity. We provide a detailed Certificate of Analysis (COA) with every shipment, which includes key parameters such as isotopic enrichment and chemical purity. Certificates are available upon request to support your regulatory and quality assurance requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, well-ventilated area away from heat sources and incompatible materials such as strong acids and oxidizers. Due to its highly volatile nature, ensure containers are kept tightly sealed when not in use to prevent evaporation and maintain purity. Recommended storage temperature is 2-8°C for long-term stability.

Specification

Item	Specification
Appearance	Colorless clear liquid
Identification (NMR)	Conforms to structure
Purity (GC)	≥ 98.0%
Isotopic Purity (D-content)	≥ 99.0 atom % D
Water Content (KF)	≤ 0.5%

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