Propanoic acid, 2,2-dimethyl, 1-methylpropyl ester
butan-2-yl 2,2-dimethylpropanoate
Also Known As: butan-2-yl 2,2-dimethylpropanoate|Pivalsaeure-sek.-butylester|Pivalic acid sec-butyl ester|Propanoic acid, 2,2-dimethyl, 1-methylpropyl ester|J1.863.818E|Propanoic acid, 2,2-dimethyl-, 1-methylpropyl ester
CAS: 5487-60-5
| Molecular Formula | C9H18O2 |
|---|---|
| Molecular Weight | 158.13068 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 158.13068 |
| Monoisotopic Mass | 158.13068 |
| Heavy Atoms | 11 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 5487-60-5 |
|---|---|
| SMILES | CCC(C)OC(=O)C(C)(C)C |
| InChIKey | DTXXVVZDBVWESG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Agrochemicals (1 patents)
Heterocyclic Building Blocks (1 patents)
Product Overview
Propanoic acid, 2,2-dimethyl, 1-methylpropyl ester (CAS 5487-60-5), with molecular formula C9H18O2 and molecular weight 158.13068 g/mol. IUPAC: butan-2-yl 2,2-dimethylpropanoate.
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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