Compound: Isoamyl alcohol
SMILES: OCCC(C)C
InChIKey: PHTQWCKDNZKARW-UHFFFAOYSA-N
Synonyms: Isoamyl alcohol, 3-Methyl-1-butanol, Isopentyl alcohol, 3-Methylbutan-1-ol, 123-51-3, Isopentanol, 3-Methylbutanol, 1-Butanol, 3-methyl-, Isoamylol, Isobutylcarbinol, 2-Methyl-4-butanol, Isobutyl carbinol, Iso-amylalkohol, ISOAMYLALCOHOL, Alcool isoamylique, Amylowy alkohol, Isoamyl alkohol, Alcool amilico, Fermentation amyl alcohol, 3-Metil-butanolo, Primary isoamyl alcohol, 3-methyl butanol, FEMA No. 2057, FEMA Number 2057, DTXSID3025469, DEM9NIT1J4, NSC-1029, NSC-7905, DTXCID705469, CHEBI:15837, RefChem:5909, 204-633-5, 907-533-6, Iso-amyl alcohol, i-Amyl Alcohol, MFCD00002934, isopentan-1-ol, 3-methyl-Butanol, Isoamyl alcohol (natural), 3-Methyl-Butan-1-Ol, Isoamyl alcohol, primary, NSC 1029, Methyl-3-butan-1-ol, Butan-1-ol, 3-methyl, Fuseloel, Huile de fusel, 3-METHYL-BUTAN-(1)-OL, EINECS 229-179-5, Magnesium bis(3-methylbutan-1-olate), 1-Hydroxy-3-Methylbutane, 3-methylbutyl alcohol, isoamyl-alcohol, WLN: Q2Y1 & 1, Isoamyl alkohol [Czech], Alcool amilico [Italian], Amylowy alkohol [Polish], Iso-amylalkohol [German], Alcool isoamylique [French], 3-Metil-butanolo [Italian], 6423-06-9, HSDB 605, EINECS 204-633-5, UNII-DEM9NIT1J4, iso-amylalcohol, isopentylalcohol, Isopentylalkohol, AI3-15288, CCRIS 8806, 3-methylbutanoI, Iso Amyl Alcohol, 3-methyl 1-butanol, 3-methyl-1 butanol, 3-methylbutane-1-ol, Butanol, 3-methyl-, Isoamyl alcohol (primary and secondary), EC 204-633-5, SCHEMBL12054, SCHEMBL15347, 3-Methyl-1-butanol, 98%, ISOAMYL ALCOHOL [FCC], SCHEMBL105067, SCHEMBL125496, SCHEMBL270421, SCHEMBL374373, ISOAMYL ALCOHOL [FHFI], ISOAMYL ALCOHOL [HSDB], ISOPENTYL ALCOHOL [MI], CHEMBL372396, QSPL 002, SCHEMBL1375469, SCHEMBL1627389, SCHEMBL8104075, SCHEMBL9664466, Isoamyl alcohol, >=98%, FG, SCHEMBL27551596, SCHEMBL27813258, SCHEMBL28162232, SCHEMBL28484613, NSC1029, NSC7905, Isoamyl alcohol (3-methyl butanol), 3-Methylbutanol, analytical standard, Tox21_302359, EBC-48171, LMFA05000108, MSK001507, STL282718, 3-Methyl-1-butanol A.C.S. Reagent, 3-Methyl-1-butanol, LR, >=98%, AKOS000118739, 3-METHYL-1-BUTANOL [USP-RS], DB02296, FM45118, MSK001507-100M, 3-Methyl-1-butanol, p.a., 99.8%, Isoamyl alcohol, natural, >=98%, FG, 3-Methyl-1-butanol, analytical standard, MSK001507-1000M, NCGC00255329-01, 3-Methyl-1-butanol, anhydrous, >=99%, CAS-123-51-3, 3-Methyl-1-butanol, reagent grade, 98%, 3-Methyl-1-butanol, technical grade, 95%, I0289, NS00008204, EN300-19333, 3-Methyl-1-butanol, ACS reagent, >=98.5%, 3-Methyl-1-butanol, biotech. grade, >=99%, 3-Methyl-1-butanol, ReagentPlus(R), >=99%, C07328, 3-Methyl-1-butanol, SAJ first grade, >=96.0%, F097704, Q223101, 3-Methyl-1-butanol Solution in Methanol, 100ug/mL, 3-Methyl-1-butanol, JIS special grade, >=98.0%, 3-Methyl-1-butanol Solution in Methanol, 1000ug/mL, F0001-0367, Z104473558, 3-Methylbutanol, BioReagent, for molecular biology, >=98.5%, 3-Methylbutanol, BioUltra, for molecular biology, >=99.0% (GC), InChI=1/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H, 3-Methyl-1-butanol, United States Pharmacopeia (USP) Reference Standard, 3-Methylbutanol, p.a., ACS reagent, reag. ISO, reag. Ph. Eur., 98.5%
Theoretical properties:
molecular_formula: C5H12O
molecular_weight: 88.15 g/mol
exact_mass: 88.088815002 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 2
heavy_atom_count: 6
topological_polar_surface_area: 20.2 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: OILY, CLEAR LIQ
color: OILY, CLEAR LIQ
odor: CHARACTERISTIC, DISAGREEABLE ODOR
boiling_point: 270 °F at 760 mmHg (USCG, 1999)
melting_point: -179 °F (NIOSH, 2024)
density: 0.81 at 68 °F (USCG, 1999) - Less dense than water; will float
solubility: 2 % at 57 °F (NIOSH, 2024)
flash_point: 114 °F (USCG, 1999)
vapor_pressure: 28 mmHg (NIOSH, 2024)
Descriptions:
pubchem: Isoamylol is an primary alcohol that is butan-1-ol in which a hydrogen at position 3 has been replaced by a methyl group. It has a role as an antifungal agent, a Saccharomyces cerevisiae metabolite and a xenobiotic metabolite. It is a volatile organic compound, a primary alcohol and an alkyl alcohol. It derives from a hydride of an isopentane.
chebi: An primary alcohol that is butan-1-ol in which a hydrogen at position 3 has been replaced by a methyl group.
chembl: 3-METHYLBUTANOL is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Isoamyl alcohol is a colorless liquid with the formula C5H12O, specifically (H3C–)2CH–CH2–CH2–OH. It is one of several isomers of amyl alcohol (pentanol).  It is also known as isopentyl alcohol, isopentanol, or (in the IUPAC recommended nomenclature) 3-methyl-butan-1-ol. An obsolete name for it was isobutyl carbinol.
Isoamyl alcohol is an ingredient in the production of banana oil, an ester found in nature and also produced as a flavouring in industry. It is a common fusel alcohol, produced as a major by-product of ethanol fermentation.