| Identification | Back Directory | [Name]
Isophorone-[2,4,4,6,6-D5] | [CAS]
1262769-87-8 | [Synonyms]
Isophorone-[2,4,4,6,6-D5]
Isophorone-2,4,4,6,6-d5 97 atom % D, 95% (CP)
3,5,5-Trimethyl-2-cyclohexen-1-one-2,4,4,6,6-d5 | [Molecular Formula]
C9H9D5O | [MDL Number]
MFCD18632583 | [MOL File]
1262769-87-8.mol | [Molecular Weight]
143.238 |
| Chemical Properties | Back Directory | [Melting point ]
-8°C (lit.) | [density ]
0.956 g/mL at 25 °C | [Fp ]
96℃ | [storage temp. ]
-20°C | [form ]
liquid | [Boiling point ]
213-214°C(lit.) | [InChI]
1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3/i4D,5D2,6D2 | [InChIKey]
HJOVHMDZYOCNQW-FIFBNPHPSA-N | [SMILES]
[2H]C1=C(C)C([2H])([2H])C(C)(C)C([2H])([2H])C1=O |
| Hazard Information | Back Directory | [Uses]
Isophorone-d5 is the deuterium labeled Isophorone. Isophorone, an α,β-unsaturated cyclic ketone, is used as a precursor to polymers[1]. | [References]
[1] Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-216. DOI:10.1177/1060028018797110
[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. DOI:10.1016/j.enzmictec.2018.01.002 |
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