1.00985

Isobutanol

(isobutyl alcohol) EMPLURA^®

• Synonym(s): Isobutanol, Isobutylalcohol, 2-Methyl-1-propanol, Iso-Butanol
• Linear Formula: (CH₃)₂CHCH₂OH
• CAS Number: 78-83-1
• Molecular Weight: 74.12
• MDL number: MFCD00004740
• UNSPSC Code: 12191502
• EC Index Number: 201-148-0

Properties

• vapor pressure: 12 hPa ( 20 °C)
• Quality Level: 200
• product line: EMPLURA^®
• assay: ≥98.5% (GC)
• form: liquid
• autoignition temp.: 430 °C
• potency: >2830 mg/kg LD₅₀, oral (Rat); 2460 mg/kg LD₅₀, skin (Rat)
• expl. lim.: 1.5-12 % (v/v)
• impurities: ≤0.005% Free acid (as C₃H₇COOH); ≤0.02% Acetone (GC); ≤0.03% Isobutyraldehyde (GC); ≤0.05% Water
• pH: 7 (20 °C, 80 g/L in H₂O)
• bp: 106-108 °C/1013 hPa
• mp: -108 °C
• transition temp: flash point 28 °C
• solubility: 85 g/L
• density: 0.802 g/cm³ at 20 °C
• storage temp.: 2-30°C
• InChI: 1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3
• InChI key: ZXEKIIBDNHEJCQ-UHFFFAOYSA-N

Description

General description

EMPLURA^® is our low-cost alternative to high-purity qualities. With EMPLURA we offer a range of solvents for a plurality of basic applications in non-regulated industries and for less demanding applications, preparative laboratory work and cleaning purposes. EMPLURA solvents provide adequate specifications with the most important parameters.

Application

• Application of Fourier-Transform Infrared Spectroscopy for the Assessment of Wine Spoilage Indicators: This study showcases the use of isobutanol as a standard in assessing wine quality through spectroscopic methods, highlighting its role in ensuring the quality and safety of food and beverages (Teixeira Dos Santos et al., 2024).


• Energy-Saving Electrochemical Hydrogen Production Coupled with Biomass-Derived Isobutanol Upgrading: Focuses on integrating isobutanol production from biomass with hydrogen production processes, illustrating its application in enhancing energy efficiency and renewable energy technologies (Du et al., 2024).


• Effects of Core Size and Surfactant Choice on Fluid Saturation Development in Surfactant/Polymer Corefloods: Although indirectly related, this research can incorporate isobutanol as a component in formulations to optimize the extraction processes in the oil and gas industry, showcasing its role in industrial applications (Rovelli et al., 2024).

Analysis Note

Purity (GC): ≥ 98.5 %
Identity (IR): conforms
Free acid (as C₃H₇COOH): ≤ 0.005 %
Density (d 20 °C/ 4 °C): 0.801 - 0.802
Acetone (GC): ≤ 0.02 %
Isobutyraldehyde (GC): ≤ 0.03 %
Water: ≤ 0.05 %

Legal Information

EMPLURA is a registered trademark of Merck KGaA, Darmstadt, Germany

Safety Information

• pictograms: GHS02,GHS05,GHS07
• signalword: Danger
• hcodes: H226 - H315 - H318 - H335 - H336
• pcodes: P210 - P233 - P240 - P280 - P303 + P361 + P353 - P305 + P351 + P338
• Hazard Classifications: Eye Dam. 1 - Flam. Liq. 3 - Skin Irrit. 2
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 1
• flash_point_f: 82.4 °F - closed cup
• flash_point_c: 28 °C - closed cup