Description

3-Benzoylpropanoic Acid-13C6 is a stable isotope-labeled analog of 3-benzoylpropanoic acid, where six carbon atoms are replaced with the carbon-13 isotope. This compound is essential as a high-purity internal standard and tracer in quantitative mass spectrometry and metabolic pathway studies, ensuring analytical accuracy and reliability. It is primarily needed by pharmaceutical R&D laboratories, contract research organizations (CROs), and academic institutions engaged in advanced pharmacokinetics, metabolomics, and stable isotope labeling research.

Application

• Quantitative Mass Spectrometry: Serves as a critical internal standard for the precise quantification of 3-benzoylpropanoic acid and related metabolites in complex biological matrices via LC-MS and GC-MS.
• Metabolic Pathway Tracing: Used as a stable isotope tracer to elucidate metabolic fluxes and degradation pathways in in vitro and in vivo studies.
• Pharmaceutical Development: Supports drug metabolism and pharmacokinetics (DMPK) studies for candidate drugs that metabolize to or from similar benzoylpropanoic acid structures.
• Biomarker Research: Enables accurate measurement of endogenous compounds in biomarker discovery and validation programs.
• Reference Material: Acts as a certified reference material (CRM) for calibrating analytical instruments and validating analytical methods in regulated environments.
• Organic Synthesis Intermediate: Used in the synthesis of more complex carbon-13 labeled compounds for research purposes.

Basic Information

Product Name	3-Benzoylpropanoic Acid-13C6
CAS No.	1346600-75-6
Molecular Formula	13C6H10O3
Molecular Weight	~196.1 g/mol (Contact for exact value)
Synonyms	4-Oxo-4-phenylbutanoic acid-13C6; 3-Carboxypropyl phenyl ketone-13C6; Benzenebutanoic acid, β-oxo-13C6; γ-Oxobenzenebutanoic acid-13C6; Phenyl 3-carboxypropyl ketone-13C6; 4-Phenyl-4-oxobutanoic acid-13C6; β-Benzoylpropionic acid-13C6; Ketopimelic acid phenyl ketone-13C6
EINECS	Contact for details

Quality Control

Every batch of 3-Benzoylpropanoic Acid-13C6 is manufactured and tested under strict quality management systems. We guarantee high chemical purity and isotopic enrichment, supported by comprehensive analytical data from NMR, HPLC, and mass spectrometry. A detailed Certificate of Analysis (COA) is provided with each shipment, documenting batch-specific results for identity, purity, isotopic purity, and residual solvents to meet the stringent requirements of research and development.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). This material is hygroscopic (moisture-sensitive) and should be handled in a dry environment to maintain stability. For long-term storage, consider storing under an inert atmosphere.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (MS)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Isotopic Purity (13C)	≥ 99 atom % 13C
Isotopic Enrichment (Positional)	≥ 98% on six designated carbons
Water Content (KF)	≤ 0.5%
Residual Solvents (GC)	Complies with ICH guidelines

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