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| | 3-Methylbutyric acid-1-13C Basic information |
| Product Name: | 3-Methylbutyric acid-1-13C | | Synonyms: | ISOVALERIC-1-13C ACID;ISOVALERIC ACID-1-13C;ISOVALERIC-1-13C ACID, 99 ATOM % 13C;Isovaleric acid-1-13C;3-Methylbutyric acid-1-13C | | CAS: | 87994-84-1 | | MF: | C5H10O2 | | MW: | 103.14 | | EINECS: | | | Product Categories: | | | Mol File: | 87994-84-1.mol |  |
| | 3-Methylbutyric acid-1-13C Chemical Properties |
| Melting point | −29 °C(lit.) | | Boiling point | 175-177 °C(lit.) | | density | 0.946 g/mL at 25 °C | | refractive index | n20/D 1.403(lit.) | | Fp | 159 °F | | form | Liquid
(Density: 0.946 g/cm3) | | color | Colorless to light yellow | | InChI | 1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)/i5+1 | | InChIKey | GWYFCOCPABKNJV-HOSYLAQJSA-N | | SMILES | CC(C)C[13C](O)=O | | CAS Number Unlabeled | 503-74-2 |
| Hazard Codes | C | | Risk Statements | 34 | | Safety Statements | 26-36/37/39-45 | | RIDADR | UN 3265 8/PG 2 | | WGK Germany | 1 | | Storage Class | 8A - Combustible corrosive hazardous materials | | Hazard Classifications | Eye Dam. 1
Skin Corr. 1B |
| | 3-Methylbutyric acid-1-13C Usage And Synthesis |
| Uses | 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. | | 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 |
| | 3-Methylbutyric acid-1-13C Preparation Products And Raw materials |
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