| 2D Structure | |
| CID | 31276 |
| Target | CYP2C19 , Gli1 , NR0B1 , TSHR |
| IUPAC Name | 3-methylbutyl acetate |
| InChI | InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3 |
| InChI Key | MLFHJEHSLIIPHL-UHFFFAOYSA-N |
| Canonical SMILES | CC(C)CCOC(=O)C |
| Isomeric SMILES | CC(C)CCOC(=O)C |
| Molecular Formula | C7H14O2 |
| Molecular Weight | 130.18 |
| synonyms | ['ISOAMYL ACETATE', '3-Methylbutyl acetate', 'Isopentyl acetate', 'Isopentyl ethanoate', 'Isoamyl ethanoate', '3-Methylbutyl ethanoate', 'Iso-amyl acetate', '3-Methyl-1-butyl acetate', 'Amylacetic ester', 'I-Amyl acetate', '3-Methyl-1-butanol acetate', '2-Methylbutyl ethanoate', '1-Butanol, 3-methyl-, acetate', 'Acetic acid, isopentyl ester', 'Amyl acetate, common', 'Acetic acid, 3-methylbutyl ester', '3-Methyl-1-butanol, acetate', 'Acetic acid 3-methylbutyl ester', 'beta-Methylbutyl acetate', 'FEMA No. 2055', 'FEMA Number 2055', 'Isoamyl acetate (natural)', 'NSC 9260', 'Isoamyl alcohol acetate', 'Isoamylacetat', 'Isoamylazetat', 'CCRIS 6051', 'HSDB 1818', "acetate d'isoamyle", '3-methyl-but-1-yl acetate', 'EINECS 204-662-3', "acetate d'isopentyle", 'BRN 1744750', '3-Methyl-1-butanol 1-acetate', 'DTXSID9025453', 'CHEBI:31725', 'AI3-00576', 'NSC-9260', 'Acetic acid 3-methyl-1-butyl ester', 'beta-Methyl butyl acetate', 'acetate de 3-methylbutyle', 'UNII-Z135787824', 'CH3C(O)O(CH2)2CH(CH3)2', 'DTXCID005453', 'EC 204-662-3', '4-02-00-00157 (Beilstein Handbook Reference)', 'Z135787824', 'isopentylacetate', "Flavor and Extract Manufacturers' Association No. 2055", '204-662-3', 'In Commercial practice amyl invariably means isoamyl, unless it is prefaced by the n-for normal', 'isoamylacetate', '123-92-2', 'Isopentyl alcohol, acetate', '1-Butanol, 3-methyl-, 1-acetate', 'Isoamylester kyseliny octove', 'MFCD00008946', 'Acetic Acid Isoamyl Ester', '3-Methyl-1-butanyl acetate', '3-Methyl butyl ester acetic acid', 'Acetic Acid 3-Methyl-Butyl Ester', 'CAS-123-92-2', 'Isoamylester kyseliny octove [Czech]', 'i-pentylacetate', 'Iso Amyl Acetate', 'Amyl acetate ester', '3-Methylbutyl ester of acetic acid', 'Iso Pentyl Acetate', 'Tri Iso Amyl Acetate', 'Acetic acid, isoamyl ester', 'Isopentyl ester acetic acid', '.beta.-Methyl butyl acetate', 'In Commercial practice amyl invariably means isoamyl, unless it is prefaced by the n- for normal', 'SCHEMBL27086', 'ISOAMYL ACETATE [MI]', 'MLS002454411', 'CHEMBL42013', 'ISOAMYL ACETATE [FCC]', 'ISOAMYL ACETATE [FHFI]', 'ISOAMYL ACETATE [HSDB]', 'QSPL 103', 'acetic acid-3-methylbutyl ester', 'FEMA 2055', 'ISOAMYL ACETATE [WHO-DD]', 'NSC9260', 'Isopentyl acetate, LR, >=95%', 'HMS2270G21', 'WLN: 1Y1 & 2OV1', 'Jargonelle pear essence (Salt/Mix)', 'Tox21_201257', 'Tox21_300373', 'STL280371', 'Isopentyl acetate, analytical standard', 'AKOS000269068', 'Isoamyl acetate, >=95%, FCC, FG', 'Isopentyl acetate, anhydrous, >=99%', 'Isopentyl acetate, reagent grade, 98%', 'NCGC00091500-01', 'NCGC00091500-02', 'NCGC00091500-03', 'NCGC00254385-01', 'NCGC00258809-01', 'BS-19548', 'FI159266', 'SMR001253743', 'A0033', 'A0264', 'NS00010166', 'Isoamyl acetate, natural, >=97%, FCC, FG', 'Isopentyl acetate, SAJ first grade, >=93.0%', 'Isopentyl acetate, SAJ special grade, >=98.0%', 'A805166', 'Q221307', 'Isopentyl acetate, 99%, cont. ca 10% other isomers', 'Isoamyl acetate, natural, 70% isoamyl acetate basis, >=97%'] |
From Pubchem