679789-44-7

Basic information

• Product Name: rac Mono(2-ethyl-5-oxohexyl) Phthalate-d4
• Synonyms: rac Mono(2-ethyl-5-oxohexyl) Phthalate-d4;1,2-Benzene-3,4,5,6-d4-dicarboxylic Acid Mono(2-ethyl-5-oxohexyl) Ester
• CAS NO: 679789-44-7
• Molecular Formula: C16H20O5
• Molecular Weight: 292.327
• Product Categories: Aromatics;Isotope Labelled Compounds;Metabolites & Impurities
• Mol File: 679789-44-7.mol

Chemical Properties

• Appearance: /
• Storage Temp.: -20°C Freezer
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• CAS DataBase Reference: rac Mono(2-ethyl-5-oxohexyl) Phthalate-d4(CAS DataBase Reference)
• NIST Chemistry Reference: rac Mono(2-ethyl-5-oxohexyl) Phthalate-d4(679789-44-7)
• EPA Substance Registry System: rac Mono(2-ethyl-5-oxohexyl) Phthalate-d4(679789-44-7)

Safety Data

• Hazardous Substances Data: 679789-44-7(Hazardous Substances Data)

Usage

Uses

Used in Analytical Chemistry:
rac Mono(2-ethyl-5-oxohexyl) Phthalate-d4 is used as a labeled internal standard for the quantification and identification of phthalate metabolites in various samples. The presence of deuterium in the compound allows for accurate measurement and differentiation from other similar compounds due to the mass shift caused by the heavier isotope.
Used in Environmental Research:
In Environmental Research, rac Mono(2-ethyl-5-oxohexyl) Phthalate-d4 is used as a tracer compound to study the environmental fate and behavior of phthalates. This helps in understanding their distribution, degradation, and potential impact on ecosystems.
Used in Toxicology Studies:
In Toxicology Studies, rac Mono(2-ethyl-5-oxohexyl) Phthalate-d4 is used as a control substance to compare the toxicological effects of phthalates and their metabolites. This can aid in determining the potential health risks associated with exposure to these chemicals.
Used in Pharmaceutical Research:
In Pharmaceutical Research, rac Mono(2-ethyl-5-oxohexyl) Phthalate-d4 can be used as a tool to study the metabolism and pharmacokinetics of phthalates, which may have implications for drug development and understanding drug-drug interactions.
Used in Material Science:
In Material Science, rac Mono(2-ethyl-5-oxohexyl) Phthalate-d4 may be used to investigate the properties of phthalate-based polymers and plastics, potentially leading to the development of new materials with improved characteristics.

Upstream product

• 679789-45-8 mono[2-ethyl-5-(tert-butyldiphenylsilyloxy)hexyl] (3,4,5,6-2H₄)-phthalate 
• 498572-79-5 5-(tert-butyldiphenylsilyloxy)-2-ethyl-hexane-1-ol 
• 75935-32-9 phthalic anhydride-d₄ 
• 679789-43-6 mono(2-ethyl-5-hydroxyhexyl) (3,4,5,6-2H₄)-phthalate 
• 67-68-5 dimethyl sulfoxide 

Relevant articles and documents

(2-Ethyl-5-oxo-hexyl) Methylthiomethyl Phthalate as By-product of the Swern Oxidation: Improved Synthesis of Ring-deuterated Major Metabolites of Bis(2-ethylhexyl) Phthalate

Two ring-deuterated major metabolites of bis(2-ethylhexyl) phthalate were obtained in excellent yields by means of an improved oxidation procedure. The by-product of their interconversion by Swern oxidation is elucidated and a possible mechanism of its formation is proposed.