Description

Hexanoic--D5 Acid is a deuterated isotopologue of caproic acid, where five hydrogen atoms are replaced by deuterium (CAS NO 123167-40-8). This high-purity labeled compound is essential for advanced analytical and research applications requiring precise molecular tracking and minimal background interference. It is primarily utilized by researchers and quality control laboratories in the pharmaceutical, agrochemical, and material science industries for applications such as internal standards in mass spectrometry and mechanistic studies in reaction chemistry.

Application

• Internal Standard for Quantitative Analysis: Serves as a critical deuterated internal standard in GC-MS and LC-MS for the accurate quantification of hexanoic acid and related compounds in complex matrices.
• Pharmaceutical Research: Used in drug metabolism and pharmacokinetics (DMPK) studies to trace the fate of active pharmaceutical ingredients and their metabolites.
• Mechanistic Reaction Studies: Acts as a tracer in chemical reaction mechanisms, leveraging the kinetic isotope effect (KIE) to elucidate reaction pathways.
• Polymer and Material Science: Employed as a labeled monomer or additive to study polymer degradation, diffusion processes, and material interactions.
• Agrochemical Development: Utilized in environmental fate studies and residue analysis of pesticides and herbicides.
• NMR Spectroscopy: Functions as a useful solvent or reagent in nuclear magnetic resonance (NMR) spectroscopy due to its distinct spectral properties.

Basic Information

Product Name	Hexanoic--D5 Acid
CAS No.	123167-40-8
Molecular Formula	C6HD5O2
Molecular Weight	121.18 g/mol
Synonyms	Caproic Acid-d5; Hexanoic Acid-d5; n-Caproic Acid-d5; n-Hexanoic Acid-d5; Pentadeuterohexanoic Acid; Deuterated Caproic Acid; [2H5]Hexanoic Acid; Butylacetic-2,2,3,3,4,4,5,5,6,6-d5 Acid
EINECS	Contact for details

Quality Control

Our Hexanoic--D5 Acid is manufactured under strict quality management systems to ensure batch-to-batch consistency and high isotopic purity. Each lot undergoes comprehensive analysis, including NMR and mass spectrometry, to confirm chemical and isotopic identity and purity. Certificates of Analysis (COA) detailing all specification parameters are provided and available upon request to support your quality assurance protocols.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (15-25°C). Keep away from strong acids, bases, and oxidizing agents. 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)	Conforms to structure
Identification (MS)	Conforms to structure
Purity (GC)	≥ 98.0%
Isotopic Purity (NMR/MS)	≥ 98 atom % D
Chemical Purity (Titration)	≥ 99.0%
Water Content (KF)	≤ 0.5%

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