1.04717

Isooctane

for liquid chromatography LiChrosolv^®

• Synonym(s): 2,2,4-Trimethylpentane, 2,2,4-Trimethylpentane, Isobutyltrimethylmethane, iso-Octane, Isooctane
• Linear Formula: (CH₃)₂CHCH₂C(CH₃)₃
• CAS Number: 540-84-1
• Molecular Weight: 114.23
• Beilstein/REAXYS Number: 1696876
• MDL number: MFCD00008943
• UNSPSC Code: 12191502
• EC Index Number: 208-759-1
• NACRES: NA.03

Properties

• vapor density: 3.9 (vs air)
• Quality Level: 100
• vapor pressure: 41 mmHg ( 21 °C)
• product line: LiChrosolv^®
• grade: isocratic
• assay: ≥99% (GC)
• form: liquid
• autoignition temp.: 745 °F
• potency: >2500 mg/kg LD₅₀, oral (Rat)
• expl. lim.: 6 %
• technique(s): HPLC: suitable
• impurities: ≤0.0002 meq/g Acidity; ≤0.0002 meq/g Alkalinity; ≤0.01% Water
• evapn. residue: ≤2.0 mg/L
• transmittance: 210 nm, ≥50%; 220 nm, ≥80%; 245 nm, ≥98%
• refractive index: n20/D 1.391 (lit.)
• pH: 7
• bp: 98-99 °C (lit.)
• mp: −107 °C (lit.)
• transition temp: flash point -12 °C
• density: 0.692 g/mL at 25 °C (lit.)
• storage temp.: 2-30°C
• SMILES string: CC(C)CC(C)(C)C
• InChI: 1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3
• InChI key: NHTMVDHEPJAVLT-UHFFFAOYSA-N

Description

General description

With their high degree of UV transmittance, low particle count, low acidity and alkalinity and low evaporation residue level, LiChrosolv solvents are ideal for reproducible separations. Since separations are normally carried out under gradient conditions in analytical HPLC, we offer solvents in "gradient grade" as well as "isocratic grade". This enables to minimize the gradient effect of the solvent involved.

Application

• Spectral Investigations of Fluorescence Tracers in Automotive and Aviation Fuels under Cryogenic Conditions: This research highlights the use of isooctane in studying the behavior of fuels at low temperatures, proving essential for improving fuel performance and safety in automotive and aviation industries (Koegl et al., 2024).


• Versatile Application of TiO₂@PDA Modified Filter Paper for Oily Wastewater Treatment: Demonstrates isooctane′s role in assessing the efficiency of innovative materials designed for environmental applications, specifically in the treatment of oily wastewaters, enhancing sustainability in industrial practices (Zhao et al., 2023).


• Characterization and Pilot-Scale Application of the ZMS-2 Serine Protease with Novel Properties for the Eco-friendly Leather Processing: Utilizes isooctane in extracting and characterizing enzymes that significantly reduce the environmental impact of leather processing, marking a step forward in sustainable industrial manufacturing (Khan et al., 2023).


• Rapid Construction of Caffeic Acid/p-Phenylenediamine Antifouling Hydrophilic Coating on a PVDF Membrane for Emulsion Separation: Investigates the role of isooctane in creating advanced coating solutions that improve the efficiency and longevity of separation processes, critical for environmental engineering (Tong et al., 2023).

Specifications

Saturation Concentration in Air: 239 g/m3 (20 °C)

Preparation Note

Product filtered through a 0.2 μm filter

Analysis Note

Purity (GC): ≥ 99.0 %
Identity (IR): conforms
Evaporation residue: ≤ 2.0 mg/l
Water: ≤ 0.01 %
Acidity: ≤ 0.0002 meq/g
Alkalinity: ≤ 0.0002 meq/g
Transmission (at 210 nm): ≥ 50 %
Transmission (at 220 nm): ≥ 80 %
Transmission (from 245 nm): ≥ 98 %
Filtered by 0.2 µm filter

Other Notes

Explore various lab safety accessories and equipment for safe handling of solvents to increase your safety level from the first usage.

Legal Information

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

Safety Information

• pictograms: GHS02,GHS08,GHS07,GHS09
• signalword: Danger
• hcodes: H225,H304,H315,H336,H410
• pcodes: P210 - P233 - P273 - P301 + P310 - P303 + P361 + P353 - P331
• Hazard Classifications: Aquatic Acute 1 - Aquatic Chronic 1 - Asp. Tox. 1 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Central nervous system
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 2
• flash_point_f: 10.4 °F - closed cup
• flash_point_c: -12 °C - closed cup