Description

Methyl 4-Methoxy-[7-13C]-Benzoate is a stable isotope-labeled analog of methyl 4-methoxybenzoate, where the carbon-13 isotope is specifically incorporated at the 7-position. This compound is essential for advanced analytical and research applications requiring precise molecular tracking and quantification. It is primarily utilized by researchers and quality control laboratories in the pharmaceutical, agrochemical, and analytical chemistry sectors for use as an internal standard in mass spectrometry, metabolic studies, and NMR spectroscopy.

Application

• Internal Standard for LC-MS/MS: Provides high-precision quantification in bioanalytical methods for drug metabolism and pharmacokinetic (DMPK) studies.
• Metabolic Pathway Tracing: Used in 13C isotopic labeling experiments to elucidate biochemical pathways and mechanisms of action.
• NMR Spectroscopy Reference: Serves as a chemical shift and quantification standard in nuclear magnetic resonance analysis.
• Pharmaceutical Impurity Profiling: Aids in the identification and accurate measurement of process-related impurities and degradants.
• Agrochemical Research: Employed in environmental fate studies and residue analysis of methoxybenzoate-based compounds.
• Isotope Dilution Mass Spectrometry (IDMS): Critical for achieving definitive, high-accuracy measurements in certified reference material production.

Basic Information

Product Name	Methyl 4-Methoxy-[7-13C]-Benzoate
CAS No.	93627-95-3
Molecular Formula	C9H1013CO3
Molecular Weight	168.17 g/mol (for 13C1 labeled)
Synonyms	Methyl p-Anisate-7-13C; Methyl 4-Methoxybenzoate-7-13C; [7-13C]-Methyl 4-methoxybenzoate; 4-Methoxybenzoic Acid Methyl Ester-7-13C; p-Methoxybenzoic Acid Methyl Ester-7-13C; Methyl p-Methoxybenzoate-7-13C; NSC 8436-7-13C; Benzoic acid, 4-methoxy-, methyl ester-7-13C
EINECS	Contact for details

Quality Control

Every batch of Methyl 4-Methoxy-[7-13C]-Benzoate is manufactured and analyzed under strict quality management protocols to ensure isotopic and chemical purity. Our standard specifications include verification of isotopic enrichment (typically ≥99 atom % 13C at the labeled position) and chemical purity by HPLC. A comprehensive Certificate of Analysis (COA) detailing batch-specific results for identity, assay, isotopic purity, and solvent residues is provided with each shipment.

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. The product is light-sensitive and should be handled under appropriate conditions to maintain stability.

Specification

Item	Specification
Appearance	White to off-white crystalline solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥98.0%
Isotopic Purity (13C NMR)	≥99 atom % at position 7
Chemical Purity (by GC)	≥99.0%
Residual Solvents (GC)	Meets ICH guidelines

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