Octyl isovalerate
octyl 3-methylbutanoate
Also Known As: Octyl isovalerate|Octyl 3-methylbutanoate|Octyl isopentanoate|Octyl isovalerianate|Octyl 3-methylbutyrate|Isovaleric acid, octyl ester|n-Octylisovalerianat|octyl 3-methyl-butanoate|Octyl isovalerate (natural)|FEMA No. 2814|Butanoic acid, 3-methyl-, octyl ester|n-Octyl-3-methyl butyrate|ENT 30598|N-OCTYL ISOVALERATE|Isovaleric acid octyl ester|EINECS 232-100-7|Butanoic acid,3-methyl-, octyl ester|N-OCTYL ISOVALERATE [FHFI]|FEMA 2814|Isovaleric acid, octyl ester (8CI)|Octyl isovalerate, >=98%, FG|BUTANOIC ACID, OCTYL ESTER|3- methyl butanoic acid octyl ester|AI3-30598|WE(8:0/4:0(3Me))|232-100-7
| Molecular Formula | C13H26O2 |
|---|---|
| Molecular Weight | 214.19328 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 214.19328 |
| Monoisotopic Mass | 214.19328 |
| Heavy Atoms | 15 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 7786-58-5 |
|---|---|
| SMILES | CCCCCCCCOC(=O)CC(C)C |
| InChIKey | FUBGRVHGQADOJI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octyl isovalerate (CAS 7786-58-5), with molecular formula C13H26O2 and molecular weight 214.19328 g/mol. IUPAC: octyl 3-methylbutanoate.
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