14397-59-2

14397-59-2 structure
14397-59-2 structure
  • Name: Isophorone-d8
  • Chemical Name: isophorone (3-methyl-d3, 2,4,4,6,6-d5)
  • CAS Number: 14397-59-2
  • Molecular Formula: C9H6D8O
  • Molecular Weight: 146.256
  • Catalog: Research Areas Others
  • Create Date: 2018-08-12 21:08:29
  • Modify Date: 2024-01-08 18:32:51
  • Isophorone-d8 is the deuterium labeled Isophorone[1]. Isophorone, an α,β-unsaturated cyclic ketone, is used as a precursor to polymers[2].

Name isophorone (3-methyl-d3, 2,4,4,6,6-d5)
Synonyms 2-Cyclohexen-1-one-2,4,4,6,6-d, 5,5-dimethyl-3-(methyl-d)-
2,2,4,4,6-pentachloro-6-phenoxy-1,3,5-triaza-2
Phenyloxypentachlorcyclotriphosphazen
2,4,4,6,6-pentadeuterio-5,5-dimethyl-3-trideuteriomethyl-cyclohex-2-enone
pentachlorophenoxycyclotriphosphazene
2,4,4,6,6-Pentadeutero 3-trideuteromethyl 5,5-dimethyl 2-cyclohexen 1-one
5,5-Dimethyl-3-(H)methyl(H)-2-cyclohexen-1-one
5,5-Dimethyl-3-(H)methyl(H)cyclohex-2-en-1-one
Deutero-isophoron
Pentachlor-phenoxy-cyclotriphosphazatrien
2,4,4,6,6-pentachloro-2-phenoxy-cyclotriphosphazene
Description Isophorone-d8 is the deuterium labeled Isophorone[1]. Isophorone, an α,β-unsaturated cyclic ketone, is used as a precursor to polymers[2].
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]. Dezvarei S, et al. Stereoselective hydroxylation of isophorone by variants of the cytochromes P450 CYP102A1 and CYP101A1. Enzyme Microb Technol. 2018 Apr;111:29-37.  

Density 0.9±0.1 g/cm3
Boiling Point 215.2±0.0 °C at 760 mmHg
Molecular Formula C9H6D8O
Molecular Weight 146.256
Flash Point 84.4±0.0 °C
Exact Mass 146.154678
PSA 17.07000
LogP 2.07
Vapour Pressure 0.2±0.4 mmHg at 25°C
Index of Refraction 1.455
Precursor  1

DownStream  0