Cas no 1276197-22-8 (rac Mono(ethylhexyl) Phthalate-d4)

Technical Introduction: rac Mono(ethylhexyl) Phthalate-d4 rac Mono(ethylhexyl) Phthalate-d4 is a deuterated analog of mono(2-ethylhexyl) phthalate (MEHP), a primary metabolite of di(2-ethylhexyl) phthalate (DEHP). The incorporation of four deuterium atoms enhances its utility as an internal standard in mass spectrometry-based analyses, ensuring high precision in quantitative measurements. This isotopically labeled compound is particularly valuable in environmental and biomedical research for tracking phthalate exposure and metabolism. Its chemical stability and isotopic purity minimize interference in analytical workflows, improving reproducibility in studies involving human biomonitoring or environmental contamination assessments. The compound is synthesized under controlled conditions to meet stringent quality standards for research applications.
rac Mono(ethylhexyl) Phthalate-d4 structure
1276197-22-8 structure
Product Name:rac Mono(ethylhexyl) Phthalate-d4
CAS No:1276197-22-8
MF:C16H22O4
MW:282.36813211441
CID:1061672
Update Time:2025-05-22

rac Mono(ethylhexyl) Phthalate-d4 Chemical and Physical Properties

Names and Identifiers

    • rac Mono(ethylhexyl) Phthalate-d4
    • BIIB021
    • CNF2024
    • Inchi: 1S/C16H22O4/c1-3-5-8-12(4-2)11-20-16(19)14-10-7-6-9-13(14)15(17)18/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,17,18)/i6D,7D,9D,10D
    • InChI Key: DJDSLBVSSOQSLW-NECLWFIRSA-N
    • SMILES: O(C(C1C([2H])=C([2H])C([2H])=C([2H])C=1C(=O)O)=O)CC(CC)CCCC

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Additional information on rac Mono(ethylhexyl) Phthalate-d4

Rac Mono(Ethylhexyl) Phthalate-d4: A Comprehensive Overview

Rac Mono(Ethylhexyl) Phthalate-d4, with the CAS number 1276197-22-8, is a specialized compound that has garnered attention in various scientific and industrial applications. This compound is a derivative of phthalic anhydride, modified with an ethylhexyl group and deuterated to enhance its properties for specific uses. The term "rac" in the name refers to the racemic mixture, indicating that it contains equal amounts of both enantiomers of the compound.

The structure of Rac Mono(Ethylhexyl) Phthalate-d4 consists of a phthalate backbone with one ethylhexyl group attached. The deuterium substitution (denoted by "-d4") replaces four hydrogen atoms with deuterium, which can be advantageous in certain analytical techniques such as nuclear magnetic resonance (NMR) spectroscopy. This modification enhances the resolution and clarity of NMR spectra, making it a valuable tool in research and development.

Recent studies have highlighted the importance of phthalate derivatives in various fields, including materials science and environmental chemistry. For instance, research published in 2023 explored the role of Rac Mono(Ethylhexyl) Phthalate-d4 in improving the thermal stability of polymers used in high-performance applications. The findings demonstrated that the incorporation of this compound significantly enhanced the polymer's resistance to thermal degradation, making it suitable for aerospace and automotive industries.

In addition to its industrial applications, Rac Mono(Ethylhexyl) Phthalate-d4 has found utility in biological research. A 2023 study investigated its use as a tracer in metabolic studies due to its unique isotopic composition. The deuterium substitution allowed researchers to track metabolic pathways with unprecedented precision, providing insights into enzyme kinetics and substrate utilization.

The synthesis of Rac Mono(Ethylhexyl) Phthalate-d4 involves a multi-step process that begins with the preparation of phthalic anhydride followed by esterification with ethylhexanol in the presence of a catalyst. The deuterium substitution is achieved through controlled hydrogen/deuterium exchange under specific conditions to ensure uniform replacement without altering the compound's structural integrity.

From an environmental perspective, understanding the behavior of phthalate derivatives in ecosystems is crucial. A 2023 environmental study assessed the biodegradation potential of Rac Mono(Ethylhexyl) Phthalate-d4. The results indicated that while it exhibits moderate biodegradability under aerobic conditions, its persistence in aquatic environments necessitates careful management to mitigate potential ecological impacts.

In conclusion, Rac Mono(Ethylhexyl) Phthalate-d4 (CAS 1276197-22-8) is a versatile compound with diverse applications across multiple disciplines. Its unique properties, derived from its structure and isotopic composition, make it an invaluable tool in research and industry alike. As ongoing research continues to uncover new potentials for this compound, its role in advancing scientific knowledge and technological innovation is expected to grow significantly.

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