Butanoic acid, 2-methylbutyl ester
2-methylbutyl butanoate
Also Known As: 2-Methylbutyl butyrate|2-methylbutyl butanoate|Isoamyl butyrate|Methyl-2-Butyl-Butyrate|2-Methylbutylbutyrate|Butanoic acid, 2-methylbutyl ester|2-Methylbutyl Dutyrate|2 - methylbutyl butyrate|2-Methylbutyl butyrate #|Butanoic acid,2-methylbutyl ester|WE(4:0(2Me)/4:0)|Butyric acid (2-methylbutyl) ester|KS-000010KR|AI3-33702|B1370-012184|256-973-9
| Molecular Formula | C9H18O2 |
|---|---|
| Molecular Weight | 158.13068 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 158.13068 |
| Monoisotopic Mass | 158.13068 |
| Heavy Atoms | 11 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 5456-96-2 |
|---|---|
| SMILES | CCCC(=O)OCC(C)CC |
| InChIKey | MBZKQDXXFMITAC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanoic acid, 2-methylbutyl ester (CAS 5456-96-2), with molecular formula C9H18O2 and molecular weight 158.13068 g/mol. IUPAC: 2-methylbutyl butanoate.
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