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.

Isobutanol (2-Methyl-propan-1-ol)
Names
Preferred IUPAC name
2-Methylpropan-1-ol
Other names
Isobutyl alcohol
IBA
2-Methyl-1-propanol
2-Methylpropyl alcohol
Isopropylcarbinol
Identifiers
3D model (JSmol)
1730878
ChEBI
ChEMBL
ChemSpider
ECHA InfoCard 100.001.044
EC Number
  • 201-148-0
49282
KEGG
PubChem CID
RTECS number
  • NP9625000
UNII
UN number 1212
  • InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3 Y
    Key: ZXEKIIBDNHEJCQ-UHFFFAOYSA-N Y
  • InChI=1/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3
SMILES
  • CC(C)CO
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).
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Infobox references
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