Propanoic acid, 1-methylpropyl ester
butan-2-yl propanoate
Also Known As: butan-2-yl propanoate|sec-Butyl propionate|Propanoic acid, 1-methylpropyl ester|1-Methylpropyl propanoate|Sec butyl Propionate|methylpropyl propanoate|Propionic acid, sec-butyl ester|Propionic acid sec-butyl ester|Propionic acid butan-2-yl ester|Propanoic acid 1-methylpropyl ester|Propanoic acid,1-methylpropyl ester|Propionic acid 1-methylpropyl ester|Propionic acid (1-methylpropyl) ester|propionic-2-methyl-1-methylethyl ester|611-802-0
| Molecular Formula | CCC(C)OC(=O)CC |
|---|---|
| Molecular Weight | 130.09938 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 130.09938 |
| Monoisotopic Mass | 130.09938 |
| Heavy Atoms | 9 |
| Complexity | 88.0 |
Chemical Identifiers
| CAS Number | 591-34-4 |
|---|---|
| SMILES | CCC(C)OC(=O)CC |
| InChIKey | VPSLGSSVPWVZFG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanoic acid, 1-methylpropyl ester (CAS 591-34-4), with molecular formula CCC(C)OC(=O)CC and molecular weight 130.09938 g/mol. IUPAC: butan-2-yl propanoate.
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