Description

Benzyl-2,3,4,5,6-D5 Acetate CAS NO 1398065-57-0 is a deuterated isotopologue of benzyl acetate, where five hydrogen atoms on the aromatic ring are replaced with deuterium (D). This high-purity labeled compound is essential for applications requiring precise analytical tracking and minimal spectral interference. It is primarily used by researchers and manufacturers in the pharmaceutical, agrochemical, and analytical chemistry industries for use as an internal standard, tracer, or precursor in the synthesis of deuterated molecules.

Application

• Internal Standard for Quantitative Analysis: Used in GC-MS and LC-MS methods to ensure accurate quantification of benzyl acetate or related compounds in complex matrices.
• Metabolic and Pharmacokinetic Studies: Serves as a stable isotopic tracer in drug metabolism research (DMPK) to study absorption, distribution, metabolism, and excretion (ADME).
• Synthetic Intermediate: Acts as a deuterated building block for the preparation of more complex labeled compounds in pharmaceutical and material science research.
• NMR Spectroscopy: Provides a valuable tool in nuclear magnetic resonance spectroscopy due to the distinct properties of deuterium, aiding in structural elucidation and mechanistic studies.
• Environmental and Fragrance Analysis: Enables precise tracking and quantification in environmental fate studies or in the analysis of fragrance components where standard benzyl acetate is present.

Basic Information

Product Name	Benzyl-2,3,4,5,6-D5 Acetate
CAS No.	1398065-57-0
Molecular Formula	C9H5D5O2
Molecular Weight	155.21 g/mol
Synonyms	Benzyl-d5 Acetate; (Phenyl-d5)methyl Acetate; Acetic Acid (Phenyl-d5)methyl Ester; Deuterated Benzyl Acetate; Benzyl Acetate-d5; Benzyl Acetate (ring-d5); NSC 406914 (d5); Benzyl Alcohol-d5 Acetate
EINECS	Contact for details

Quality Control

Our deuterated chemicals are produced and tested under strict quality management protocols. Each batch of Benzyl-2,3,4,5,6-D5 Acetate is analyzed to confirm isotopic purity (D-enrichment) and chemical purity, ensuring consistency for sensitive research applications. Certificates of Analysis (COA) detailing specifications such as assay by GC/NMR, isotopic enrichment by MS, and solvent residues are provided and 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 and open flame.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR/NMR)	Conforms to structure
Assay (GC)	≥98.0% (chemical purity)
Isotopic Purity (D-enrichment)	≥98 atom % D
Water Content (KF)	≤0.5%

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