Introduction：Basic information about CAS 352431-46-0|2,3-Pentanedione-d5, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2,3-Pentanedione-d5 |
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| CAS Number | 352431-46-0 | Molecular Weight | 105.14700 |
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| Density | 0.998 g/cm3 | Boiling Point | 107.999ºC at 760 mmHg |
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| Molecular Formula | C5H3D5O2 | Melting Point | / |
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| MSDS | / | Flash Point | 19.676ºC |
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Names
| Name | 2,3-pentanedione-1,1,1,4,4-d5 |
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| Synonym | More Synonyms |
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2,3-Pentanedione-d5 BiologicalActivity
| Description | 2,3-Pentanedione-d5 is the deuterium labeled 2,3-Pentanedione[1]. 2,3-Pentanedione is a common constituent of synthetic flavorings and is used to impart a butter, strawberry, caramel, fruit, rum, or cheese flavor in beverages, ice cream, candy, baked goods, gelatins, and puddings. 2,3-Pentanedione also occurs naturally as a fermentation product in beer, wine, and yogurt and is releasedduring roasting of coffee beans[2]. |
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| Related Catalog | Research Areas >>OthersSignaling Pathways >>Others >>Others |
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| 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]. |
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| References | [1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216. [2]. Morgan DL, et al. Bronchial and bronchiolar fibrosis in rats exposed to 2,3-pentanedione vapors: implications for bronchiolitis obliterans in humans. Toxicol Pathol. 2012;40(3):448-465. |
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Chemical & Physical Properties
| Density | 0.998 g/cm3 |
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| Boiling Point | 107.999ºC at 760 mmHg |
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| Molecular Formula | C5H3D5O2 |
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| Molecular Weight | 105.14700 |
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| Flash Point | 19.676ºC |
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| Exact Mass | 105.08400 |
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| PSA | 34.14000 |
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| LogP | 0.55450 |
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| InChIKey | TZMFJUDUGYTVRY-PDWRLMEDSA-N |
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| SMILES | CCC(=O)C(C)=O |
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Synonyms
| 2,3-difluoro-6-iodo-benzealdehyde |
