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Bis(2-methoxyethyl) Phthalate-3,4,5,6-[d4]

General Information
Catalog: BLP-003466
CAS: 1398065-54-7
Molecular Formula: C14H14D4O6
Molecular Weight: 286.32
Chemical Structure
Bis(2-methoxyethyl) Phthalate-3,4,5,6-[d4]
Description Bis(2-methoxyethyl) Phthalate-3,4,5,6-[d4] is a labelled compound of Bis(2-methoxyethyl) Phthalate.
Synonyms Phthalic acid, bis-methylglycol ester D4; bis(2-methoxyethyl) 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate
IUPAC Name bis(2-methoxyethyl) 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate
Related CAS 117-82-8 (unlabelled)
Isomeric SMILES [2H]C1=C(C(=C(C(=C1[2H])C(=O)OCCOC)C(=O)OCCOC)[2H])[2H]
Canonical SMILES COCCOC(=O)C1=CC=CC=C1C(=O)OCCOC
InChI InChI=1S/C14H18O6/c1-17-7-9-19-13(15)11-5-3-4-6-12(11)14(16)20-10-8-18-2/h3-6H,7-10H2,1-2H3/i3D,4D,5D,6D
InChI Key HSUIVCLOAAJSRE-LNFUJOGGSA-N

Bis(2-methoxyethyl) Phthalate-3,4,5,6-[d4], a deuterated phthalate compound, finds primary applications in analytical and research contexts. Here are key applications of Bis(2-methoxyethyl) Phthalate-3,4,5,6-[d4], presented with high perplexity and burstiness:

Stable Isotope Labeling: Serving as a stable isotope-labeled standard in mass spectrometry, this compound aids in the quantification and identification of phthalates across diverse samples. Through deuterium integration, the analysis with this labeled compound yields data of heightened accuracy and reliability. Researchers employ it to meticulously trace metabolism and distribution in pharmacokinetic studies or environmental surveillance, unlocking deeper insights into substance dynamics.

Chemical Research: Guiding investigations into the degradation pathways and byproducts of phthalates within environmental or biological systems, Bis(2-methoxyethyl) Phthalate-3,4,5,6-[d4] plays an instrumental role. By utilizing this compound, researchers can effectively differentiate parent compounds from their metabolites within intricate mixtures. This capability is pivotal for evaluating the ecological ramifications and human health risks linked with phthalate exposure, enriching our understanding of substance interactions.

Polymer Analysis: In the domain of material science, this compound plays a crucial role in the examination and verification of phthalates in polymers and plastics using advanced methodologies such as NMR spectroscopy. Acting as a deuterated phthalate, it generates a unique signal that simplifies the analysis of polymer interactions and degradation pathways. This insight proves invaluable for manufacturers striving to reduce phthalate content in consumer goods, driving advancements in product safety and quality assurance.

Toxicology Studies: Employed in toxicological investigations, Bis(2-methoxyethyl) Phthalate-3,4,5,6-[d4] aids in unraveling the effects and mechanisms of phthalate exposure on biological systems. Leveraging its isotopic labeling, researchers gain precise monitoring capabilities over the absorption, distribution, metabolism, and excretion of phthalates in model organisms. These gained insights lend support to risk assessment efforts and inform regulatory decisions concerning phthalate usage, shaping policies and practices in the realm of toxicology.

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