Description

3-Methyl-2-Buten-1-Yl Thiolacetate-D6 is a deuterated isotopologue of a key thioester intermediate, where six hydrogen atoms are replaced with deuterium. This compound is of significant value in analytical chemistry and life sciences as a stable isotope-labeled internal standard for precise quantification. It is primarily needed by researchers and quality control laboratories in the pharmaceutical, flavor & fragrance, and advanced material synthesis sectors to ensure accurate mass spectrometry and NMR analyses.

Application

• Internal Standard for GC-MS/LC-MS: Used as a quantitative reference standard in mass spectrometric analysis of its non-deuterated counterpart and related metabolites.
• NMR Spectroscopy: Serves as a deuterated solvent probe or a non-interfering standard in complex mixture analysis due to its distinct spectroscopic signature.
• Pharmaceutical Research: Enables accurate pharmacokinetic and metabolic studies through isotope dilution mass spectrometry (IDMS) techniques.
• Flavor and Fragrance Analysis: Acts as a critical standard for the quantification of sulfur-containing flavor compounds in complex matrices.
• Chemical Synthesis Tracing: Utilized in mechanistic studies and reaction pathway elucidation where deuterium labeling is required.
• Quality Control & Method Development: Essential for developing and validating highly accurate analytical methods in compliance with regulatory guidelines.

Basic Information

Product Name	3-Methyl-2-Buten-1-Yl Thiolacetate-D6
CAS No.	1189502-84-8
Molecular Formula	C7H6D6OS
Molecular Weight	150.27 g/mol (approx.)
Synonyms	Prenyl Thioacetate-d6; 3,3-Dimethylallyl Thiolacetate-d6; (3-Methylbut-2-en-1-yl) Thioacetate-d6; Dehydrolinalyl Thioacetate-d6; 1-Acetylthio-3-methyl-2-butene-d6; 3-Methyl-2-butenyl Thioacetate-d6; Isotopically Labeled Prenyl Mercaptoacetate; [D6]-3-Methyl-2-buten-1-yl thioacetate
EINECS	Contact for details

Quality Control

Our deuterated compounds are produced and controlled under a strict quality management system. Each batch of 3-Methyl-2-Buten-1-Yl Thiolacetate-D6 is characterized to ensure high isotopic purity and chemical identity. Certificates of Analysis (COA) are provided, detailing key parameters such as isotopic enrichment (Atom % D), chemical purity by GC or HPLC, and spectroscopic confirmation. We support research and compliance needs aligned with GMP/GLP principles where applicable.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place. Recommended storage temperature is 2-8°C for long-term stability. Keep away from heat and open flame.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR / NMR)	Conforms to structure
Isotopic Purity (Atom % D)	≥ 98% (by 1H-NMR or MS)
Chemical Purity (GC / HPLC)	≥ 95%
Water Content (KF)	≤ 0.5%

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