Isobutanol
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.
Names | |
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Preferred IUPAC name
2-Methylpropan-1-ol | |
Other names
Isobutyl alcohol IBA 2-Methyl-1-propanol 2-Methylpropyl alcohol Isopropylcarbinol | |
Identifiers | |
3D model (JSmol) |
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1730878 | |
ChEBI | |
ChEMBL | |
ChemSpider | |
ECHA InfoCard | 100.001.044 |
EC Number |
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49282 | |
KEGG | |
PubChem CID |
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RTECS number |
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UNII | |
UN number | 1212 |
CompTox Dashboard (EPA) |
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SMILES
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Properties | |
C4H10O | |
Molar mass | 74.122 g/mol |
Appearance | Colorless liquid |
Odor | sweet, musty |
Density | 0.802 g/cm3, liquid |
Melting point | −108 °C (−162 °F; 165 K) |
Boiling point | 107.89 °C (226.20 °F; 381.04 K) |
8.7 mL/100 mL | |
log P | 0.8 |
Vapor pressure | 9 mmHg (20°C) |
Refractive index (nD) |
1.3959 |
Viscosity | 3.95 cP at 20 °C |
Hazards | |
GHS labelling: | |
Danger | |
H226, H315, H318, H335, H336 | |
P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P370+P378, P403+P233, P403+P235, P405, P501 | |
NFPA 704 (fire diamond) |
1
3
0 |
Flash point | 28 °C (82 °F; 301 K) |
415 °C (779 °F; 688 K) | |
Explosive limits | 1.7–10.9% |
Lethal dose or concentration (LD, LC): | |
LDLo (lowest published) |
3750 mg/kg (rabbit, oral) 2460 mg/kg (rat, oral) |
NIOSH (US health exposure limits): | |
PEL (Permissible) |
TWA 100 ppm (300 mg/m3) |
REL (Recommended) |
TWA 50 ppm (150 mg/m3) |
IDLH (Immediate danger) |
1600 ppm |
Safety data sheet (SDS) | ICSC 0113 |
Related compounds | |
Related butanols |
1-Butanol sec-Butanol tert-Butanol |
Related compounds |
Isobutyraldehyde Isobutyric acid |
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Infobox references |
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