| Identification | Back Directory | [Name]
3-METHYLBUTYRIC ACID-1-13C | [CAS]
87994-84-1 | [Synonyms]
ISOVALERIC-1-13C ACID
ISOVALERIC ACID-1-13C
3-METHYLBUTYRIC ACID-1-13C
ISOVALERIC-1-13C ACID, 99 ATOM % 13C | [Molecular Formula]
C5H10O2 | [MDL Number]
MFCD00084022 | [MOL File]
87994-84-1.mol | [Molecular Weight]
103.14 |
| Chemical Properties | Back Directory | [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 Information | Back Directory | [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 |
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Merck KGaA
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www.sigmaaldrich.cn |
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SIGMA-RBI
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www.sigma-aldrich.com |
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