1185239-59-1

1185239-59-1 structure
1185239-59-1 structure
  • Name: Muconic acid-d4
  • Chemical Name: trans,trans-Muconic Acid-d4
  • CAS Number: 1185239-59-1
  • Molecular Formula: C6H2D4O4
  • Molecular Weight: 146.13
  • Catalog: Research Areas Metabolic Disease
  • Create Date: 2022-04-02 17:21:23
  • Modify Date: 2024-01-13 14:04:25
  • trans-trans-Muconic acid-d4-1 is a deuterium labeled trans-trans-Muconic acid (HY-113247). trans-trans-Muconic acid is a urinary metabolite of benzene and has been used as a biomarker of exposure to benzene in human.

Name trans,trans-Muconic Acid-d4
Synonyms (2E,4E)-2,4-Hexadienedioic Acid-d4
(2E,4E)-(2H4)-2,4-Hexadienedioic acid
(2E,4E)-(2H4)Hexa-2,4-dienedioic acid
2,4-Hexadienedioic-2,3,4,5-d4 acid, (2E,4E)-
Description trans-trans-Muconic acid-d4-1 is a deuterium labeled trans-trans-Muconic acid (HY-113247). trans-trans-Muconic acid is a urinary metabolite of benzene and has been used as a biomarker of exposure to benzene in human.
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]. Bartczak A, ET AL. Evaluation of assays for the identification and quantitation of muconic acid, a benzene metabolite in human urine. J Toxicol Environ Health. 1994 Jul;42(3):245-58.  

Density 1.4±0.1 g/cm3
Boiling Point 345.4±15.0 °C at 760 mmHg
Melting Point >245° C (dec.)
Molecular Formula C6H2D4O4
Molecular Weight 146.13
Flash Point 176.9±16.9 °C
Exact Mass 146.051712
LogP -0.21
Vapour Pressure 0.0±1.6 mmHg at 25°C
Index of Refraction 1.549
Water Solubility Soluble in DMSO and Methanol