2-Methyl-1-propanol CAS#78-83-1
High Purity Aroma Component – Isobutanol is an essential aroma-contributing compound found in clean tea leaves, black tea, and green tea, helping produce excellent fragrance.
Versatile Solubility – It is soluble in alcohol and ether, enabling wide application in various formulations.
Stable Physical Properties – With well-defined characteristics (boiling point 107.66 °C, relative density 0.8016, refractive index 1.3959), it offers reliable performance in industrial processes.
Chemical Reactivity – It can form addition compounds (e.g., CaCl₂·3C₄H₁₀O), providing value in chemical synthesis and specialized applications.
Isobutanol, also known as isopropyl alcohol or 2-methylpropanol, is a colorless, flammable liquid. It is a key aromatic component found in fresh tea leaves, black tea, and green tea, contributing to their characteristic fragrance. Isobutanol has a molecular weight of 74.12, a boiling point of 107.66 °C, a relative density of 0.8016, a refractive index of 1.3959, and a flash point of 37 °C. It is miscible with alcohol and ether but only slightly soluble in water. When mixed with air, it can form explosive vapors, with an explosion limit of 2.4% by volume. It can also form addition compounds with substances like calcium chloride, such as CaCl₂·3C₄H₁₀O.
2-Methyl-1-propanol Chemical Properties
Melting point | 108 °C (lit.) |
Boiling point | 108 °C (lit.) 108 °C |
Density | 0.803 g/mL at 25 °C (lit.) |
Vapor density | 2.55 (vs air) |
Vapor pressure | 8 mm Hg ( 20 °C) |
Refractive index | n |
FEMA | 2179 | ISOBUTYL ALCOHOL |
Fp | 82 °F |
Storage temp | Store at +5°C to +30°C. |
Solubility | water: miscible70g/L at 20°C; miscible with alcohol and oils. |
Form | Solid |
Pka | >14 (Schwarzenbach et al., 1993) |
Color | APHA: ≤10 |
Relative polarity | 0.552 |
PH | 7 (80g/l, H2O, 20℃) |
Odor | Slightly suffocating; nonresidual alcoholi |
Odor Threshold | 0.011ppm |
Explosive limit | 1.5-12%(V) |
Odor Type | ethereal |
Water Solubility | 95 g/L (20 ºC) |
λmax | λ: 260 nm Amax: 0.10 |
JECFA Number | 251 |
Merck | 14,5131 |
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. |
Dielectric constant | 31.7（-80℃） |
Stability | Stable. Flammable. Incompatible with strong oxidizing agents, aluminium. |
InChIKey | ZXEKIIBDNHEJCQ-UHFFFAOYSA-N |
LogP | 1 at 25℃ |
CAS DataBase Reference | 78-83-1(CAS DataBase Reference) |
NIST Chemistry Reference | 1-Propanol, 2-methyl-(78-83-1) |
EPA Substance Registry System | Isobutanol (78-83-1) |
Safety Information
Hazard Codes | Xi |
Risk Statements | 10-37/38-41-67 |
Safety Statements | 13-26-37/39-46-7/9 |
RIDADR | UN 1212 3/PG 3 |
OEB | A |
OEL | TWA: 50 ppm (150 mg/m3) |
WGK Germany | 1 |
RTECS | NP9625000 |
Autoignition Temperature | 801 °F |
TSCA | Yes |
HazardClass | 3 |
PackingGroup | III |
HS Code | 29051990 |
Hazardous Substances Data | 78-83-1(Hazardous Substances Data) |
Toxicity | LD50 orally in rats: 2.46 g/kg (Smyth) |
IDLA | 1,600 ppm |
Product Usage (Rewritten)
(1) Used as an analytical reagent, chromatographic reagent, solvent, and extraction agent.
(2) Serves as a raw material for organic synthesis and also functions as an excellent solvent.
(3) Isobutanol is a key raw material for organic synthesis, primarily utilized in producing isobutyronitrile, an intermediate in the manufacturing of diazinon.
(4) As an organic synthesis feedstock, isobutanol is applied in producing petroleum additives, antioxidants, 2,6-di-tert-butyl-4-methylphenol, isobutyl acetate (a paint solvent), plasticizers, synthetic rubber, synthetic musk, fruit essences, and pharmaceutical intermediates. It can also be used to purify strontium, barium, lithium salts, and other chemical reagents, and serves as a high-quality solvent.
(5) Used as an extraction solvent and as a food flavoring agent listed in GB 2760-96.
