Description

Heptanoic-5,5,6,6-D4 Acid CAS NO 352431-36-8 is a high-purity, deuterium-labeled isotopologue of heptanoic acid, where four hydrogen atoms at the 5 and 6 positions are replaced with deuterium. This stable isotope labeling is critical for applications requiring precise tracking and quantification in complex systems, offering enhanced analytical sensitivity and specificity. It is an essential material for researchers and manufacturers in the pharmaceutical, agrochemical, and advanced materials sectors, particularly for use as an internal standard in mass spectrometry, metabolic pathway studies, and the synthesis of labeled compounds.

Application

• Internal Standard for Quantitative Analysis: Serves as a highly reliable internal standard in GC-MS and LC-MS for the accurate quantification of heptanoic acid and related metabolites in biological and environmental samples.
• Metabolic Research & Tracer Studies: Used in deuterium labeling experiments to investigate fatty acid metabolism, β-oxidation pathways, and other biochemical processes.
• Pharmaceutical Development: Employed in the synthesis of deuterated drug candidates for pharmacokinetic (PK) and absorption, distribution, metabolism, and excretion (ADME) studies, leveraging the kinetic isotope effect.
• Agrochemical Research: Acts as a tracer in the study of pesticide and herbicide metabolism within plants and soil.
• Chemical Synthesis: A key building block for synthesizing more complex deuterium-labeled compounds for use in NMR spectroscopy and other analytical techniques.
• Material Science: Used in research involving labeled polymers or surfactants where tracking specific molecular fragments is necessary.

Basic Information

Product Name	Heptanoic-5,5,6,6-D4 Acid
CAS No.	352431-36-8
Molecular Formula	C7H10D4O2
Molecular Weight	134.21 g/mol
Synonyms	Heptanoic-5,5,6,6-d4 Acid; [5,5,6,6-2H4]Heptanoic Acid; Enanthic-5,5,6,6-d4 Acid; n-Heptanoic-5,5,6,6-d4 Acid; 1-Pentylacetic-5,5,6,6-d4 Acid; Deuterated Heptanoic Acid; Heptanoic Acid-d4 (position specific); FA(7:0)-5,5,6,6-d4
EINECS	Contact for details

Quality Control

Our deuterium-labeled Heptanoic Acid is produced under controlled conditions to ensure exceptional isotopic and chemical purity. Each batch undergoes rigorous quality testing using advanced analytical techniques, including NMR, GC-MS, and HPLC, to verify isotopic enrichment, chemical purity, and identity. Certificates of Analysis (COA) detailing all specifications are 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 heat sources and incompatible materials such as strong bases and oxidizing agents.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (GC)	≥ 98.0%
Isotopic Enrichment (NMR/MS)	≥ 98 atom % D
Chemical Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%

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