Isovalerate
3-methylbutanoate
Also Known As: isovalerate|3-methylbutanoate|isopropylacetate|3-Methylbutyrate|delphinate|isopentanoate|isovalerianate|beta-methylbutyrate|3-methyl-n-butyrate|ISOBUTYLFORMATE|45186-EP2277866A1|45186-EP2289897A1|45186-EP2295409A1|45186-EP2295437A1|45186-EP2298775A1|45186-EP2311821A1
CAS: 5711-68-2
| Molecular Formula | C5H9O2- |
|---|---|
| Molecular Weight | 101.06026 g/mol |
| LogP | -0.2176 |
| Topological Polar Surface Area | 40.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 101.06026 |
| Monoisotopic Mass | 101.06026 |
| Heavy Atoms | 7 |
| Complexity | 66.48041 |
Chemical Identifiers
| CAS Number | 5711-68-2 |
|---|---|
| SMILES | CC(C)CC(=O)[O-] |
Product Overview
Isovalerate (CAS 5711-68-2), with molecular formula C5H9O2- and molecular weight 101.06026 g/mol. IUPAC: 3-methylbutanoate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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