Introduction：Basic information about CAS 344298-98-2|4-(2H3)Methyl(2H8)pentanoic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 4-(2H3)Methyl(2H8)pentanoic acid |
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| CAS Number | 344298-98-2 | Molecular Weight | 127.226 |
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| Density | 0.9±0.1 g/cm3 | Boiling Point | 201.0±0.0 °C at 760 mmHg |
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| Molecular Formula | C6HD11O2 | Melting Point | / |
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| MSDS | ChineseUSA | Flash Point | 97.2±0.0 °C |
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| Symbol |
GHS06 | Signal Word | Danger |
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Names
| Name | 4-methylpentanoic-d11 acid |
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| Synonym | More Synonyms |
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4-(2H3)Methyl(2H8)pentanoic acid BiologicalActivity
| Description | 4-Methylpentanoic acid-d11 is the deuterium labeled 4-Methylpentanoic acid[1]. 4-Methylpentanoic acid (Isocaproic Acid) is a Short chain fatty acid (SCFA)[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]. Skonieczna-Żydecka K, et al. Faecal Short Chain Fatty Acids Profile is Changed in Polish Depressive Women. Nutrients. 2018 Dec 7;10(12). |
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Chemical & Physical Properties
| Density | 0.9±0.1 g/cm3 |
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| Boiling Point | 201.0±0.0 °C at 760 mmHg |
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| Molecular Formula | C6HD11O2 |
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| Molecular Weight | 127.226 |
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| Flash Point | 97.2±0.0 °C |
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| Exact Mass | 127.152771 |
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| PSA | 37.30000 |
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| LogP | 1.66 |
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| Vapour Pressure | 0.1±0.8 mmHg at 25°C |
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| Index of Refraction | 1.425 |
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| InChIKey | FGKJLKRYENPLQH-KUXNVAAFSA-N |
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| SMILES | CC(C)CCC(=O)O |
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| Storage condition | 2-8℃ |
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Safety Information
| Symbol |
GHS06 |
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| Signal Word | Danger |
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| Hazard Statements | H311-H315 |
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| Precautionary Statements | P280-P302 + P352 + P312 |
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| RIDADR | UN 2810 6.1 / PGIII |
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Synonyms
| 4-Hydroxyphenylsulphur pentafluoride |
| 4-Hydroxyphenylsulfur pentafluoride |
| Pentanoic-2,2,3,3,4,5,5,5-d acid, 4-(methyl-d)- |
| 4-Hydroxy-phenyl-schwefeltrifluorid |
| 4-(H)Methyl(H)pentanoic acid |
| 4-pentafluorsulfanyl-phenol |
| 4-pentanoic acid-d11 |
| 4-Hydroxy-phenylschwefelpentafluorid |
