Valeric acid, 2,2,4-trimethyl-3-oxo-, butyl ester
butyl 2,2,4-trimethyl-3-oxopentanoate
Also Known As: butyl 2,2,4-trimethyl-3-oxopentanoate|2,2,4-trimethyl-3-oxo-valeric acid, butyl ester|Valeric acid, 2,2,4-trimethyl-3-oxo-, butyl ester
CAS: 4447-69-2
| Molecular Formula | C12H22O3 |
|---|---|
| Molecular Weight | 214.15689 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 214.15689 |
| Monoisotopic Mass | 214.15689 |
| Heavy Atoms | 15 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 4447-69-2 |
|---|---|
| SMILES | CCCCOC(=O)C(C)(C)C(=O)C(C)C |
| InChIKey | IOCDAKOKYMMTRL-UHFFFAOYSA-N |
Product Overview
Valeric acid, 2,2,4-trimethyl-3-oxo-, butyl ester (CAS 4447-69-2), with molecular formula C12H22O3 and molecular weight 214.15689 g/mol. IUPAC: butyl 2,2,4-trimethyl-3-oxopentanoate.
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.
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