Description

Caproic Acid-1-13C CAS NO 58454-07-2 is a stable isotope-labeled analog of hexanoic acid, where the carbon-13 isotope is specifically incorporated at the carboxyl carbon position. This precise labeling is critical for advanced analytical research, enabling highly accurate metabolic pathway tracing and quantification in complex biological systems. It is an essential reagent for pharmaceutical R&D, environmental science, and biochemistry laboratories requiring definitive internal standards for mass spectrometry and NMR spectroscopy.

Application

• Internal Standard for Mass Spectrometry (MS): Provides a definitive reference for the accurate quantification of endogenous caproic acid and related metabolites in bioanalytical assays.
• Metabolic Pathway Tracing: Used in 13C-isotope labeling studies to elucidate fatty acid metabolism, β-oxidation processes, and gut microbiome-host interactions.
• Nuclear Magnetic Resonance (NMR) Spectroscopy: Serves as a crucial probe for structural and dynamic studies in chemical and biochemical research due to the distinct 13C NMR signal.
• Pharmaceutical Development: Employed in drug metabolism and pharmacokinetics (DMPK) studies to track the fate of drug candidates and their metabolites.
• Nutritional and Food Science Research: Facilitates studies on lipid digestion, absorption, and the metabolic impact of dietary fats.
• Environmental Analysis: Acts as a labeled standard for detecting and quantifying short-chain fatty acids in environmental samples.

Basic Information

Product Name	Caproic Acid-1-13C
CAS No.	58454-07-2
Molecular Formula	13C1C5H12O2 or CH3(CH2)413COOH
Molecular Weight	117.15 g/mol (for 13C1 isotopologue)
Synonyms	Hexanoic acid-1-13C; [1-13C]Caproic acid; [1-13C]Hexanoic acid; n-Caproic acid-1-13C; n-Hexanoic acid-1-13C; Butylacetic acid-1-13C; Pentylformic acid-1-13C
EINECS	Contact for details

Quality Control

Every batch of Caproic Acid-1-13C is manufactured and analyzed under strict quality systems to ensure the highest isotopic and chemical purity for research applications. Our products undergo rigorous quality testing, including isotopic enrichment verification by NMR and MS, and chemical purity assessment by chromatography. Certificates of Analysis (COA) detailing batch-specific data for isotopic purity, chemical purity, and identity are provided and available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store at controlled room temperature (15-25°C) in a cool, dry, and well-ventilated area. Keep away from strong bases, oxidizers, and sources of ignition. Due to its nature as a strong acid/organic solvent, handle with appropriate personal protective equipment in a fume hood.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR / NMR)	Conforms to structure
Isotopic Purity (13C)	≥ 99 atom % 13C
Chemical Purity (GC / HPLC)	≥ 98.0%
Isotopic Enrichment (Position 1)	≥ 99%

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