Introduction：Basic information about CAS 87994-84-1|Isovaleric acid-13C, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Isovaleric acid-13C |
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| CAS Number | 87994-84-1 | Molecular Weight | 103.12400 |
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| Density | 0.946 g/mL at 25ºC | Boiling Point | 175-177ºC(lit.) |
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| Molecular Formula | C413CH10O2 | Melting Point | -29ºC(lit.) |
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| MSDS | ChineseUSA | Flash Point | 159 °F |
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| Symbol |
GHS05 | Signal Word | Danger |
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Names
| Name | 3-methylbutanoic acid |
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| Synonym | More Synonyms |
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Isovaleric acid-13C BiologicalActivity
| Description | Isovaleric acid-13C is the 13C labeled Isovaleric acid. Isovaleric acid is a natural fatty acid and known to effect on neonatal death and possible Jamaican vomiting sickness in human. |
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| Related Catalog | Research Areas >>Metabolic Disease |
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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;53(2):211-216. |
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Chemical & Physical Properties
| Density | 0.946 g/mL at 25ºC |
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| Boiling Point | 175-177ºC(lit.) |
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| Melting Point | -29ºC(lit.) |
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| Molecular Formula | C413CH10O2 |
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| Molecular Weight | 103.12400 |
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| Flash Point | 159 °F |
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| Exact Mass | 103.07100 |
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| PSA | 37.30000 |
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| LogP | 1.11710 |
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| Index of Refraction | n20/D 1.403(lit.) |
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| InChIKey | GWYFCOCPABKNJV-HOSYLAQJSA-N |
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| SMILES | CC(C)CC(=O)O |
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Safety Information
| Symbol |
GHS05 |
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| Signal Word | Danger |
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| Hazard Statements | H314 |
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| Precautionary Statements | P280-P305 + P351 + P338-P310 |
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| Hazard Codes | C |
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| Risk Phrases | R34 |
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| Safety Phrases | S26;S45;S36/S37/S39 |
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| RIDADR | UN 3265 8/PG 2 |
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| WGK Germany | 1 |
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Synonyms
| isovaleric-1-13C acid |
| 3-Methylbutyric acid-1-13C |
| <1-13C>isovaleric acid |
| MFCD00084022 |
| Isovaleric acid-1-13C |
