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CAS number：78-83-1
molecular formula：C4H10O
molecular weight：74.12
EINECS number：201-148-0
NATURAL ISO BUTYL ALCOHOL;FEMA 2179;ISOBUTANOL;ISOBUTANOL, 2-METHYL-1-PROPANOL;ISOBUTYL ALCOHOL;ISO-PROPYL BARBINOL;ISOPROPYL CARBINOL;IBA
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Isobutanol, also known as isopropyl methanol and 2-methyl propanol, is a colorless and flammable liquid with an alcoholic odor. It is one of the main components of the aroma of fresh tea leaves, black tea and green tea, with a molecular weight of 74.12. Boiling point 107.66 ℃. Relative density 0.8016 (20/ 4℃). Refractive index 1.3959. Flash point 37 ℃. Miscible with alcohol and ether, slightly soluble in water. Its vapor can form explosive mixtures with air, the explosion limit is 2.4% (volume). Can form addition compounds with calcium chloride (CaCl2 · 3C4H10O). It can be obtained by rectifying the by-product of methanol synthesis, or by fractionating crude fusel oil. In industry, cobalt carbonyl is used as a catalyst to make the mixture of propylene, carbon monoxide and hydrogen react at 110～140℃ and 2.0265×107～3.0397×107Pa to generate butyraldehyde and isobutyraldehyde, and then catalytic hydrogenation and separation to obtain isobutanol . Used in the manufacture of petroleum additives, antioxidants, plasticizers, synthetic rubber, artificial musk, fruit essential oils and synthetic drugs. Also used as solvent and chemical reagent.
| Melting point | -108 °C (lit.) |
| Boiling point | 108 °C (lit.) 108 °C |
| Density | 0.803 g/mL at 25 °C (lit.) |
| Vapour density | 2.55 (vs air) |
| Vapor Pressure | 8 mm Hg ( 20 °C) |
FEMA | 2179 | ISOBUTYL ALCOHOL |
| Refractive index | n20/D 1.396(lit.) |
| Flash point | 82 °F |
| Storage conditions | Store at +5°C to +30°C. |
| Solubility | water: miscible70g/L at 20°C |
| Shape | Solid |
| Acidity coefficient(pKa) | >14 (Schwarzenbach et al., 1993) |
| Color | APHA: ≤10 |
| pH value | 7 (80g/l, H2O, 20℃) |
Odor | Slightly suffocating; nonresidual alcoholi |
| relative polarity | 0.552 |
Explosive limit | 1.5-12%(V) |
Odor Threshold | 0.011ppm |
| Water solubility | 95 g/L (20 ºC) |
λmax | λ: 260 nm Amax: 0.10 |
Merck | 14,5131 |
JECFA Number | 251 |
BRN | 1730878 |
Henry's Law Constant | 20.0 at 30.00 °C, 72.2 at 50.00 °C, 133 at 60.00 °C, 216 at 70.00 °C, 330 at 80.00 °C (headspace- GC, Hovorka et al., 2002) |
| Exposure Limits | TWA 300 mg/m3 (100 ppm) NIOSH, 150 mg/m3 (50 ppm) (ACGIH); IDLH 8000 ppm. |
| Stability | Stable. Flammable. Incompatible with strong oxidizing agents, aluminium. |
InChIKey | ZXEKIIBDNHEJCQ-UHFFFAOYSA-N |
LogP | 1 at 25℃ |
| CAS database | 78-83-1(CAS DataBase Reference) |
Colorless transparent liquid. Has a special smell. Soluble in about 20 times of water, miscible with ethanol and ether.
● Used as analytical reagents, chromatography reagents, solvents and extractants
● Used as raw material for organic synthesis, also used as advanced solvent
● Isobutanol is a raw material for organic synthesis. It is mainly used in pesticides to synthesize isobutyronitrile, the intermediate of diazinon.
● Raw materials for organic synthesis. Used in the manufacture of petroleum additives, antioxidants, 2,6-di-tert-butyl-p-cresol, isobutyl acetate (paint solvent), plasticizers, synthetic rubber, artificial musk, fruit essential oils and synthetic drugs. It can also be used to purify salt chemicals such as strontium, barium and lithium, and as a high-grade solvent.
● extraction solvent. GB 2760-96 specifies the permitted edible spices.
● solvent. Extracting agent. Extract lithium chloride from the mixture of lithium chloride and sodium chloride or potassium to separate strontium bromide and barium bromide. Determination of calcium, strontium, barium, sodium, potassium, lithium, silver, chlorine and phosphite. Organic Synthesis.
● In the presence of sodium amalgam or other catalysts, it is formed by the reduction of butyraldehyde.
● The by-product of methanol synthesis is obtained by rectification.
1. Oxosynthesis method (by-product of propylene to butanol) Using propylene and synthesis gas as raw materials, normal and isobutyraldehyde are obtained by oxo synthesis. The finished products are positive and isobutanol. 2. Isobutyraldehyde hydrogenation method Isobutyraldehyde undergoes liquid phase hydrogenation reaction under the catalysis of nickel to obtain isobutanol. 3. Recover from isobutyl oil by-produced in methanol production plants. Synthesize isobutyl oil, a by-product of methanol rectification. After methanol removal, salting-out dehydration, and azeotropic distillation, isobutanol is obtained.
● The preparation method uses synthesis gas and propylene as raw materials, isobutyraldehyde is obtained by separation when preparing 2-ethylhexanol through carbonyl synthesis, and then isobutanol is obtained by hydrogenation.
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