4,4'-Propane-2,2-diyldi(3,5-2H2)phenol

Modify Date: 2024-01-11 17:41:45

4,4'-Propane-2,2-diyldi(3,5-2H2)phenol Structure
4,4'-Propane-2,2-diyldi(3,5-2H2)phenol structure
Common Name 4,4'-Propane-2,2-diyldi(3,5-2H2)phenol
CAS Number 347841-41-2 Molecular Weight 232.311
Density 1.1±0.1 g/cm3 Boiling Point 400.8±25.0 °C at 760 mmHg
Molecular Formula C15H12D4O2 Melting Point N/A
MSDS N/A Flash Point 192.4±17.8 °C

 Use of 4,4'-Propane-2,2-diyldi(3,5-2H2)phenol


Bisphenol A-d4-1 is the deuterium labeled Bisphenol A[1]. Bisphenol A is a phenolic, organic synthetic compound widely used in the production of polycarbonate plastics and epoxy resins. Bisphenol A is a reproductive, developmental, and systemic toxicant, often classified as an endocrine-disrupting compound (EDC). Bisphenol A is associated with many diseases, including cardiovascular diseases, respiratory diseases, diabetes, kidney diseases, obesity, and reproductivedisorders[2][3].

 Names

Name bisphenol-a-3,3',5,5'-d4
Synonym More Synonyms

 4,4'-Propane-2,2-diyldi(3,5-2H2)phenol Biological Activity

Description Bisphenol A-d4-1 is the deuterium labeled Bisphenol A[1]. Bisphenol A is a phenolic, organic synthetic compound widely used in the production of polycarbonate plastics and epoxy resins. Bisphenol A is a reproductive, developmental, and systemic toxicant, often classified as an endocrine-disrupting compound (EDC). Bisphenol A is associated with many diseases, including cardiovascular diseases, respiratory diseases, diabetes, kidney diseases, obesity, and reproductivedisorders[2][3].
Related Catalog
In Vitro Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1].
References

[1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216.  

[2]. Huang M, et al. Bisphenol A and its analogues bisphenol S, bisphenol F and bisphenol AF induce oxidative stress and biomacromolecular damage in human granulosa KGN cells. Chemosphere. 2020 Apr 9;253:126707.  

[3]. Rubin BS, et al. Bisphenol A: an endocrine disruptor with widespread exposure and multiple effects. J Steroid Biochem Mol Biol. 2011 Oct;127(1-2):27-34.  

 Chemical & Physical Properties

Density 1.1±0.1 g/cm3
Boiling Point 400.8±25.0 °C at 760 mmHg
Molecular Formula C15H12D4O2
Molecular Weight 232.311
Flash Point 192.4±17.8 °C
Exact Mass 232.140137
PSA 40.46000
LogP 3.43
Vapour Pressure 0.0±1.0 mmHg at 25°C
Index of Refraction 1.599

 Synonyms

Phenol-3,5-d, 4,4'-(1-methylethylidene)bis-
4,4'-(2,2-Propanediyl)di(3,5-H)phenol
4,4'-Propane-2,2-diyldi(3,5-H)phenol