Description

Methyl Benzoate-Carbonyl-13C is a stable isotope-labeled derivative of methyl benzoate, where the carbonyl carbon atom is replaced with the Carbon-13 (13C) isotope. This compound is essential as a high-purity internal standard and tracer in quantitative analytical techniques, enabling precise measurement and metabolic pathway elucidation. It is primarily required by research institutions, pharmaceutical development labs, and analytical service providers engaged in advanced mass spectrometry (MS), nuclear magnetic resonance (NMR) spectroscopy, and pharmacokinetic studies.

Application

• Internal Standard for Quantitative Analysis: Used in Gas Chromatography-Mass Spectrometry (GC-MS) and Liquid Chromatography-Mass Spectrometry (LC-MS) for the accurate quantification of methyl benzoate and related compounds in complex matrices.
• Metabolic Tracer Studies: Employed in biomedical and agricultural research to track the fate of the benzoate moiety in biological systems, studying plant defense mechanisms or mammalian metabolism.
• NMR Spectroscopy: Serves as a chemical shift reference or a labeled starting material for synthesizing more complex 13C-labeled compounds for structural analysis.
• Pharmaceutical R&D: Utilized in drug metabolism and pharmacokinetics (DMPK) studies to understand the absorption, distribution, metabolism, and excretion (ADME) of new chemical entities.
• Environmental Analysis: Acts as a labeled standard for detecting and quantifying benzoate esters in environmental samples, ensuring high accuracy in trace-level analysis.
• Flavor and Fragrance Research: Used in stable isotope dilution assays (SIDA) to precisely measure natural vs. synthetic methyl benzoate components in products.

Basic Information

Product Name	Methyl Benzoate-Carbonyl-13C
CAS No.	36712-21-7
Molecular Formula	C7H613COOCH3 / C8H813COO
Molecular Weight	137.14 g/mol (for 13C1 labeled)
Synonyms	Methyl Benzoate-13C(carbonyl); Methyl 13C-Benzoate; Benzoic-13C Acid Methyl Ester; Methyl Benzoate (carbonyl-13C); Methyl Benzoate-13C1; Methyl Benzoate (1-13C); NSC 9396-13C; Oil of Niobe-13C
EINECS	Contact for details

Quality Control

Our Methyl Benzoate-Carbonyl-13C is produced under controlled conditions to ensure exceptional isotopic and chemical purity. Each batch undergoes rigorous analysis, including isotopic enrichment verification by NMR and quantitative purity assessment by GC or HPLC. A comprehensive Certificate of Analysis (COA) is provided, detailing the isotopic purity (typically >99 atom % 13C), chemical purity, and solvent residues, ensuring it meets the stringent requirements for research and analytical applications.

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). Keep away from heat sources and incompatible materials.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Isotopic Purity (13C)	≥99 atom %
Chemical Purity (GC/HPLC)	≥98%
Solvent Residue (GC)	Complies with ICH guidelines

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