Description

Butanethioic Acid, 3-Oxo-, S-Methyl Ester (9Ci) is a specialized sulfur-containing organic compound with the CAS number 98157-54-1. This high-purity intermediate is valued for its unique reactivity profile, making it a critical building block in advanced chemical synthesis. It is primarily sought after by research and development teams and production chemists in the pharmaceutical and agrochemical industries for constructing complex molecular architectures.

Application

• Pharmaceutical Intermediate: Serves as a key synthon in the production of active pharmaceutical ingredients (APIs), particularly those containing thioester or β-keto thioester functionalities.
• Agrochemical Synthesis: Used in the research and manufacturing of novel herbicides, fungicides, and plant growth regulators.
• Organic Synthesis Reagent: Acts as an acylating agent or a precursor for introducing the 3-oxobutanethioate moiety in complex organic molecules.
• Chemical Research: Employed in academic and industrial R&D for method development and exploring new reaction pathways in synthetic chemistry.
• Flavor & Fragrance Industry: Potential use as an intermediate for synthesizing sulfur-containing aroma compounds, subject to specific purity grades and regulatory approval.

Basic Information

Item	Details
Product Name	Butanethioic Acid, 3-Oxo-, S-Methyl Ester (9Ci)
CAS No.	98157-54-1
Molecular Formula	C5H8O2S
Molecular Weight	132.18 g/mol
Synonyms	3-Oxobutanethioic Acid S-Methyl Ester; Methyl 3-Oxobutanethioate; Acetoacetic Acid Methylthio Ester; S-Methyl 3-Oxobutanethioate; 3-Oxobutanoic Acid Methylthio Ester; Methyl Thiocetoacetate; 98157-54-1; Butanethioic acid, 3-oxo-, methyl ester
EINECS	Contact for details

Quality Control

Our Butanethioic Acid, 3-Oxo-, S-Methyl Ester (9Ci) is manufactured under a strict quality management system. Every batch undergoes comprehensive analytical testing, including HPLC, GC, and NMR, to ensure identity, purity, and consistency. A detailed Certificate of Analysis (COA) is provided with each shipment, confirming compliance with agreed specifications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at room temperature (15-25°C). This material is easily oxidized and should be handled under an inert atmosphere for long-term storage. Keep away from heat, sparks, and open flame.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Related Substances (HPLC)	Total impurities ≤ 3.0%

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