Isophorone-d8

Modify Date: 2024-01-08 18:32:51

Isophorone-d8 Structure
Isophorone-d8 structure
Common Name Isophorone-d8
CAS Number 14397-59-2 Molecular Weight 146.256
Density 0.9±0.1 g/cm3 Boiling Point 215.2±0.0 °C at 760 mmHg
Molecular Formula C9H6D8O Melting Point N/A
MSDS N/A Flash Point 84.4±0.0 °C

 Use of Isophorone-d8


Isophorone-d8 is the deuterium labeled Isophorone[1]. Isophorone, an α,β-unsaturated cyclic ketone, is used as a precursor to polymers[2].

 Names

Name isophorone (3-methyl-d3, 2,4,4,6,6-d5)
Synonym More Synonyms

 Isophorone-d8 Biological Activity

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.  

 Chemical & Physical Properties

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

 Synthetic Route

~%

Isophorone-d8 Structure

Isophorone-d8

CAS#:14397-59-2

Literature: Canadian Journal of Chemistry, , vol. 58, # 1 p. 55 - 59

 Precursor & DownStream

Precursor  1

DownStream  0

 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