Description

3-Methylbutyric Acid-1-13C is a stable isotope-labeled analog of isovaleric acid, where the carbon-13 atom is specifically incorporated at the carboxylic acid position. This precise labeling is critical for applications requiring high sensitivity and accurate metabolic pathway tracing, as it provides a distinct spectroscopic signature. It is an essential tool for researchers and manufacturers in the pharmaceutical, agrochemical, and analytical chemistry sectors who require reliable, high-purity isotopic standards for advanced studies.

Application

• Metabolic Pathway Analysis: Used as an internal standard in tracer studies for investigating fatty acid metabolism and related biochemical processes using GC-MS or LC-MS.
• Pharmaceutical Research & Development: Employed in the synthesis of isotopically labeled drug candidates for pharmacokinetic, pharmacodynamic, and mass spectrometry-based bioanalytical studies.
• Flavor and Fragrance Analysis: Serves as a quantitative standard in the accurate analysis of flavor compounds and their metabolic derivatives in food and cosmetic science.
• Environmental Science: Applied in studies tracking the environmental fate and biodegradation of organic acids and related compounds.
• NMR Spectroscopy: Utilized as a chemical shift reference or building block in the synthesis of more complex 13C-labeled molecules for structural elucidation.
• Diagnostic Agent Synthesis: Acts as a precursor in the development of isotopically labeled compounds for use in advanced medical diagnostics, including breath tests.

Basic Information

Product Name	3-Methylbutyric Acid-1-13C
CAS No.	87994-84-1
Molecular Formula	C413CH10O2
Molecular Weight	103.13 g/mol (approx.)
Synonyms	Isovaleric Acid-1-13C; 3-Methylbutanoic Acid-1-13C; (13C)Isovaleric Acid; 1-13C-3-Methylbutyric Acid; Isobutylcarboxylic Acid-1-13C; 3-Methylbutyric-1-13C Acid; β-Methylbutyric Acid-1-13C; 13C Labeled Isovaleric Acid
EINECS	Contact for details

Quality Control

Every batch of 3-Methylbutyric Acid-1-13C is manufactured and tested under strict quality management systems to ensure exceptional isotopic and chemical purity. Our products undergo rigorous analytical testing, including NMR, GC-MS, and HPLC, to confirm identity, isotopic enrichment (typically >99 atom % 13C), and chemical assay. Certificates of Analysis (COA) detailing all specifications are provided with each shipment to support your quality assurance and regulatory compliance needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at room temperature (15-25°C). This compound is a strong acid/organic solvent and is easily oxidized; it is recommended to store under an inert atmosphere such as nitrogen or argon for long-term stability. Keep away from heat, sparks, open flames, and incompatible materials like strong bases and oxidizing agents.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (GC)	≥ 98.0%
Isotopic Enrichment	≥ 99 atom % 13C
Chemical Purity (Assay)	≥ 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.