679789-44-7

679789-44-7 structure
679789-44-7 structure
  • Name: Mono(2-ethyl-5-oxohexyl) phthalate-d4
  • Chemical Name: 2,3,4,5-tetradeuterio-6-(2-ethyl-5-oxohexoxy)carbonylbenzoic acid
  • CAS Number: 679789-44-7
  • Molecular Formula: C16H16D4O5
  • Molecular Weight: 296.35
  • Catalog: Research Areas Others
  • Create Date: 2017-10-24 13:20:24
  • Modify Date: 2025-08-25 14:12:41
  • Mono(2-ethyl-5-oxohexyl) phthalate-d4 is a deuterium labeled Mono(2-ethyl-5-oxohexyl) phthalate (HY-133676). Mono(2-ethyl-5-oxohexyl) phthalate is an oxidative metabolite of Di(2-ethylhexyl) phthalate (DEHP). Mono(2-ethyl-5-oxohexyl) phthalate may protective sperm DNA damage. Di(2-ethylhexyl) phthalate is the predominant plasticizer added to rigid polyvinyl chloride (PVC) to impart flexibility, temperature tolerance, optical clarity, strength and resistance to kinking[1][2][3].

Name 2,3,4,5-tetradeuterio-6-(2-ethyl-5-oxohexoxy)carbonylbenzoic acid
Description Mono(2-ethyl-5-oxohexyl) phthalate-d4 is a deuterium labeled Mono(2-ethyl-5-oxohexyl) phthalate (HY-133676). Mono(2-ethyl-5-oxohexyl) phthalate is an oxidative metabolite of Di(2-ethylhexyl) phthalate (DEHP). Mono(2-ethyl-5-oxohexyl) phthalate may protective sperm DNA damage. Di(2-ethylhexyl) phthalate is the predominant plasticizer added to rigid polyvinyl chloride (PVC) to impart flexibility, temperature tolerance, optical clarity, strength and resistance to kinking[1][2][3].
Related Catalog
References

[1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-246.  

[2]. Hauser R. Urinary phthalate metabolites and semen quality: a review of a potential biomarker of susceptibility. Int J Androl. 2008;31(2):112-117.  

[3]. Van Vliet ED, et al. A review of alternatives to di (2-ethylhexyl) phthalate-containing medical devices in the neonatal intensive care unit [published correction appears in J Perinatol. 2012 Aug;32(8):648]. J Perinatol. 2011;31(8):551-560.  

Molecular Formula C16H16D4O5
Molecular Weight 296.35
Exact Mass 292.13100
PSA 80.67000
LogP 2.93700
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