Compound: Isobutanol
SMILES: OCC(C)C
InChIKey: ZXEKIIBDNHEJCQ-UHFFFAOYSA-N
Synonyms: Isobutanol, 2-Methyl-1-propanol, ISOBUTYL ALCOHOL, 2-Methylpropan-1-ol, 78-83-1, Isopropylcarbinol, 1-Propanol, 2-methyl-, 1-Hydroxymethylpropane, Iso-butyl alcohol, 2-Methylpropyl alcohol, Isobutylalkohol, 2-Methylpropanol, 2-Methyl propanol, Alcool isobutylique, Fermentation butyl alcohol, RCRA waste number U140, FEMA No. 2179, FEMA Number 2179, DTXSID0021759, 56F9Z98TEM, NSC-5708, DTXCID601759, CHEBI:46645, RefChem:791617, 201-148-0, i-Butyl alcohol, i-Butanol, 2-Methylpropanol-1, Isopropyl carbitol, NSC 5708, 2-methyl-propanol, MFCD00004740, Methyl-2 propanol-1, iso-C4H9OH, 2-methyl-1-propanyl alcohol, Isobutylalkohol [Czech], iso-butanol, Isobutyl alcohol (natural), Isopropyl carbinol, Alcool isobutylique [French], HSDB 49, 2-?Methyl-?1-?propanol(Isobutyl Alcohol), CCRIS 2300, EINECS 201-148-0, UN1212, RCRA waste no. U140, BRN 1730878, isobutonol, isobutylalcohol, UNII-56F9Z98TEM, iso butanol, Butanol-iso, AI3-01777, 2-methylpropanoI, iBuOH, iso-BuOH, Isobutanol (IBA), i-BuOH, 2-methyl-l-propanol, 2-methyl-n-propanol, Isobutanol ACS grade, Isobutanol in Ethanol, Propanol, 2-methyl-, 2-methyl-propan-1-ol, Isobutanol, HPLC Grade, SCHEMBL969, 78-83-1(Ethanol), EC 201-148-0, SCHEMBL2836, Isobutanol, Isobutyl alcohol, SCHEMBL39214, SCHEMBL39403, SCHEMBL40167, 4-01-00-01588 (Beilstein Handbook Reference), BIDD:ER0628, Isobutanol or isobutyl alcohol, ISOBUTYL ALCOHOL [II], ISOBUTYL ALCOHOL [MI], 2-Methyl-1-propanol, 99%, ISOBUTYL ALCOHOL [FCC], CHEMBL269630, SCHEMBL1033934, SCHEMBL1255871, SCHEMBL1517844, SCHEMBL2446864, SCHEMBL2820032, SCHEMBL3022683, SCHEMBL8445704, SCHEMBL8445834, ISOBUTYL ALCOHOL [FHFI], ISOBUTYL ALCOHOL [HSDB], SCHEMBL22042138, SCHEMBL28865899, WLN: Q1Y1&1, ISOBUTYL ALCOHOL [MART.], NSC5708, 2-Methyl-1-propanol, 99.5%, 2-Methyl-1-propanol, AR, 99%, Isobutanol, Spectrophotometric Grade, Tox21_201214, ISOBUTYL ALCOHOL (ISOBUTANOL), LMFA05000100, STL185664, 2-methyl-1-propanol(isobutyl alcohol), 2-Methyl-1-propanol, LR, >=99%, AKOS000118740, EBC-627138, FM59577, Isobutyl alcohol, >=99%, FCC, FG, UN 1212, 2-METHYL-1-PROPANOL [USP-RS], CAS-78-83-1, NCGC00091851-01, NCGC00091851-02, NCGC00258766-01, 2-Methyl-1-propanol, analytical standard, 2-Methyl-1-propanol, anhydrous, 99.5%, 2-Methyl-1-propanol, for HPLC, 99.5%, Isobutyl alcohol, ACS reagent, >=99.0%, I0094, NS00008599, EN300-19336, Isobutyl alcohol 5000 microg/mL in Methanol, 2-Methyl-1-propanol 10 microg/mL in Methanol, Isobutyl alcohol, natural, >=99%, FCC, FG, 2-Methyl-1-propanol, ACS reagent, >=99.0%, F098794, Q151797, 2-Methyl-1-propanol, p.a., ACS reagent, 99.0%, 2-Methyl-1-propanol, SAJ first grade, >=99.0%, 2-Methyl-1-propanol, JIS special grade, >=99.0%, F0001-2058, InChI=1/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H, 2-Methyl-1-propanol, reag. ISO, 99%, UV HPLC spectroscopic, Isobutanol or isobutyl alcohol [UN1212]  [Flammable liquid], 2-Methyl-1-propanol, puriss. p.a., ACS reagent, >=99.5% (GC), 2-Methyl-1-propanol, BioUltra, for molecular biology, >=99.5% (GC), 2-Methyl-1-propanol, United States Pharmacopeia (USP) Reference Standard, 2-Methyl-1-propanol, puriss. p.a., ACS reagent, reag. Ph. Eur., >=99% (GC), 5OZ
Theoretical properties:
molecular_formula: C4H10O
molecular_weight: 74.12 g/mol
exact_mass: 74.073164938 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 1
heavy_atom_count: 5
topological_polar_surface_area: 20.2 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless, oily liquid
color: Colorless, oily liquid
odor: Sweet, musty odor
boiling_point: 225 °F at 760 mmHg (NTP, 1992)
melting_point: -162 °F (NTP, 1992)
density: 0.802 at 68 °F (USCG, 1999) - Less dense than water; will float
solubility: 50 to 100 mg/mL at 61 °F (NTP, 1992)
flash_point: 82 °F (NTP, 1992)
vapor_pressure: 10 mmHg at 71.1 °F ; 9 mmHg at 68 °F (NTP, 1992)
Descriptions:
pubchem: Isobutanol is an alkyl alcohol that is propan-1-ol substituted by a methyl group at position 2. It has a role as a Saccharomyces cerevisiae metabolite. It is a primary alcohol and an alkyl alcohol. It derives from a hydride of an isobutane.
chebi: An alkyl alcohol that is propan-1-ol substituted by a methyl group at position 2.
chembl: ISOBUTANOL is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Isobutanol (IUPAC nomenclature: 2-methylpropan-1-ol) is an organic compound with the formula (CH3)2CHCH2OH (sometimes represented as i-BuOH). This colorless, flammable liquid with a characteristic smell is mainly used as a solvent either directly or as its esters. Its isomers are 1-butanol, 2-butanol, and tert-butanol, all of which are important industrially.