| 2D Structure | |
| CID | 16255 |
| Target | / |
| IUPAC Name | 3-methylbutyl octanoate |
| InChI | InChI=1S/C13H26O2/c1-4-5-6-7-8-9-13(14)15-11-10-12(2)3/h12H,4-11H2,1-3H3 |
| InChI Key | XKWSWANXMRXDES-UHFFFAOYSA-N |
| Canonical SMILES | CCCCCCCC(=O)OCCC(C)C |
| Isomeric SMILES | CCCCCCCC(=O)OCCC(C)C |
| Molecular Formula | C13H26O2 |
| Molecular Weight | 214.34 |
| synonyms | ['Isopentyl octanoate', 'Isoamyl octanoate', '3-METHYLBUTYL OCTANOATE', 'Octanoic acid, 3-methylbutyl ester', 'Isoamyl caprylate', 'Isoamyl octanoate (natural)', 'EINECS 218-004-8', 'octanoic acid isopentyl ester', 'UNII-2EX40079OL', 'BRN 1767760', 'AI3-01827', '2EX40079OL', 'WE(4:0(3Me)/8:0)', 'DTXSID7062114', 'ISOAMYL OCTANOATE [FHFI]', 'CHEBI:87536', 'FEMA 2080', 'OCTANOIC ACID, ISOPENTYL-ESTER', 'Isoamyl caprylic acid', 'Isoamyl octanoic acid', 'Isopentyl octanoic acid', 'Octanoate isopentyl ester', '3-Methylbutyl octanoic acid', 'DTXCID5036268', '4-02-00-00988 (beilstein handbook reference)', 'xkwswanxmrxdes-uhfffaoysa-n', '2035-99-6', 'Octanoic acid, isopentyl ester', 'Isoamyl octylate', 'Isopentyl octylate', 'Isopentyl alcohol, octanoate', 'FEMA No. 2080', 'n-Caprylic acid isoamyl ester', 'iso-Amyl n-octanoate', 'Octanoic acid, isoamyl ester', 'Isoamyl n-Octanoate (contains 2-Methylbutyl n-Octanoate)', 'Isoamyl n-Octanoate', 'MFCD00048917', 'Isopentyl n-Octanoate', '3-methylbutyloctanoate', 'SCHEMBL856632', 'n-Octanoic Acid Isoamyl Ester', 'CHEMBL4642968', 'Isoamyl octanoate, >=98%, FG', 'Octanoic acid,3-methylbutyl ester', 'CAA03599', 'LMFA07010682', 'Isoamyl octanoate, analytical standard', 'AKOS015899575', 'CS-W014922', 'HY-W014206', 'AS-61682', 'Isoamyl octanoate, natural, >=98%, FG', 'NS00012661', 'O0031', 'D91789', 'Q11735352'] |
From Pubchem