≥98%(CP),≥98 atom% D for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Isovaleric acid-d9 is the deuterium labeled Isovaleric acid. Isovaleric acid is a natural fatty acid and known to effect on neonatal death and possible Jamaican vomiting sickness in human.
| Canonical Smiles | CC(C)CC(=O)O |
|---|---|
| IUPAC Name | 2,2,3,4,4,4-hexadeuterio-3-(trideuteriomethyl)butanoic acid |
| InChIKey | GWYFCOCPABKNJV-CBZKUFJVSA-N |
| INCHI | 1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)/i1D3,2D3,3D2,4D |
| Isomeric SMILES | [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])C(=O)O |
| Alternate CAS | 503-74-2（unlabelled） |
| Molecular Weight | 111.19 |
| Reaxy-Rn | 1098522 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1098522&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 H2515396 | Certificate of Analysis | Apr 21, 2025 | I340608 |
| Molecular Weight | 111.190 g/mol |
|---|---|
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 111.125 Da |
| Monoisotopic Mass | 111.125 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 66.500 |
| Isotope Atom Count | 9 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
