Description

Butanethioic Acid, S- (1,1-Dimethylethyl) Ester is a specialized organosulfur compound, specifically a thioester, valued for its role as a versatile intermediate and protecting group in advanced organic synthesis. Its unique structure, featuring a tert-butyl thioester moiety, makes it a critical reagent for introducing sulfur functionalities and for applications requiring controlled reactivity. This high-purity chemical is essential for researchers and manufacturers in the pharmaceutical, agrochemical, and specialty chemical industries who require reliable, high-quality building blocks for complex molecule construction.

Application

• Pharmaceutical Intermediate: Serves as a key building block in the synthesis of active pharmaceutical ingredients (APIs), particularly those containing sulfur heterocycles or thioether linkages.
• Agrochemical Synthesis: Used in the production of herbicides, fungicides, and insecticides where the thioester group is incorporated into the final molecule's active core.
• Peptide Chemistry & Biochemistry: Acts as a thioester donor in native chemical ligation (NCL) and other peptide coupling strategies, crucial for protein and peptide synthesis.
• Polymer & Material Science: Employed as a monomer or modifier in the development of specialty polymers, including those with specific adhesion or degradation properties.
• Organic Synthesis Reagent: Functions as a tert-butylthio protecting group for carboxylic acids or as a precursor for generating thiyl radicals in radical-based reactions.
• Flavor & Fragrance Industry: May be used as an intermediate for synthesizing sulfur-containing aroma compounds that contribute to savory or roasted notes.

Basic Information

Product Name	Butanethioic Acid, S- (1,1-Dimethylethyl) Ester
CAS No.	6330-43-4
Molecular Formula	C8H16OS
Molecular Weight	160.28 g/mol
Synonyms	S-tert-Butyl Butanethioate; tert-Butyl Butanethioate; Butanethioic Acid S-tert-Butyl Ester; S-tert-Butyl Thiobutyrate; tert-Butyl Thiobutyrate; Butyric Acid tert-Butyl Thioester; 1,1-Dimethylethyl Butanethioate; Butyryl tert-Butyl Sulfide
EINECS	228-677-8

Quality Control

Our production of Butanethioic Acid, S- (1,1-Dimethyl) Ester adheres to stringent quality management protocols to ensure batch-to-batch consistency and high purity. Each lot undergoes comprehensive analytical testing, including chromatography (GC/HPLC) and spectroscopic methods (NMR, IR), to verify identity, potency, and impurity profiles. Certificates of Analysis (COA) detailing all test results are provided and can be tailored to meet specific customer or regulatory requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at controlled room temperature (typically 15-25°C). Keep away from heat, sparks, and open flame. Due to its light-sensitive nature, containers should be kept in amber glass or opaque packaging during storage and handling.

Specification

Item	Specification
Appearance	Clear, colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Assay (GC)	≥ 98.0%
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Specific Gravity (20°C)	0.90 - 0.95
Refractive Index (20°C)	1.450 - 1.460

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