1.04718

Isooctane

for spectroscopy Uvasol^®

• 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: 1696876
• MDL number: MFCD00008943
• UNSPSC Code: 12191502
• EC Index Number: 208-759-1

Properties

• vapor density: 3.9 (vs air)
• Quality Level: 100
• vapor pressure: 41 mmHg ( 21 °C)
• Assay: ≥99.8% (GC)
• form: liquid
• autoignition temp.: 745 °F
• potency: >2500 mg/kg LD₅₀, oral (Rat)
• expl. lim.: 6 %
• technique(s): UV/Vis spectroscopy: suitable
• impurities: ≤0.0002 meq/g Acidity; ≤0.0002 meq/g Alkalinity; ≤0.005% Water
• evapn. residue: ≤0.0002%
• color: APHA: ≤10
• transmittance: 205 nm, ≥30%; 215 nm, ≥65%; 220 nm, ≥80%; 225 nm, ≥85%; 235 nm, ≥90%; 245 nm, ≥98%; 255 nm, ≥99%
• 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.)
• UV absorption: λ: 205 nm A_max: ≤0.52; λ: 215 nm A_max: ≤0.19; λ: 220 nm A_max: ≤0.10; λ: 225 nm A_max: ≤0.07; λ: 235 nm A_max: ≤0.05; λ: 245 nm A_max: ≤0.01; λ: 255 nm A_max: ≤0.004
• 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

Accurate analytic results in UV/VIS and infrared spectroscopy depend on the use of very pure solvents for sample preparation. The Uvasol<TMSYMBOL></TMSYMBOL> solvents range has been specially designed for spectroscopy and other applications requiring solvents of the highest spectral purity. The refinement process allows a greater degree of security in applications and avoids misinterpretation of analytical results caused by traces of UV, IR and fluorescence contamination. Uvasol<TMSYMBOL></TMSYMBOL> solvents offer best UV transmittance. In all specifications the minimum transmittance for 5 typical wavelengths are identified.

Application

• Characterization of Palm Fatty Acid Distillate, Diacylglycerol Regioisomers, and Esterification Products Using High-Performance Size Exclusion Chromatography.: This research utilizes isooctane in the analysis of palm fatty acid distillates and their derivatives, emphasizing its role in enhancing chromatographic techniques for lipid analysis (Aryusuk et al., 2024).


• Multivariate Optimization and Validation of a Modified QuEChERS Method for Determination of PAHs and PCBs in Grilled Meat by GC-MS.: This study features isooctane in the extraction and analysis of hazardous compounds in food samples, demonstrating advanced sample preparation techniques for ensuring food safety (Ostadgholami et al., 2023).


• Compatibility of cloud point extraction with gas chromatography: Matrix effects of Triton X-100 on GC-MS and GC-MS/MS analysis of organochlorine and organophosphorus pesticides.: Isooctane is highlighted as a critical component in the extraction and chromatographic analysis of environmental toxins, showcasing its utility in reducing matrix interferences (Hristozova et al., 2024).


• Characterization and Pilot-Scale Application of the ZMS-2 Serine Protease with Novel Properties for the Eco-friendly Leather Processing.: Although indirectly related, this article illustrates the broader applicability of biochemical methods in industry, where isooctane′s role in process optimization can be inferred (Khan et al., 2023).


• Study of the diffusion properties of zeolite mixtures by combined gravimetric analysis, IR spectroscopy and inversion methods (IRIS).: This paper discusses the use of isooctane in studying the transport properties of zeolites, important for catalytic and separation processes in chemistry (Ait Blal et al., 2023).

Specifications

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

Analysis Note

Purity (GC): ≥ 99.8 %
Evaporation residue: ≤ 0.0002 %
Water: ≤ 0.005 %
Color: ≤ 10 Hazen
Acidity: ≤ 0.0002 meq/g
Alkalinity: ≤ 0.0002 meq/g
Fluorescence (as quinine at 254 nm): ≤ 1.0 ppb
Fluorescence (as quinine at 365 nm): ≤ 1.0 ppb
Transmission (at 205nm): ≥ 30 %
Transmission (at 215 nm): ≥ 65 %
Transmission (at 220 nm): ≥ 80 %
Transmission (at 225 nm): ≥ 85 %
Transmission (at 235 nm): ≥ 90 %
Transmission (at 245 nm): ≥ 98 %
Transmission (from 255 nm): ≥ 99 %
Absorbance (at 205nm): ≤ 0.52
Absorbance (at 215 nm): ≤ 0.19
Absorbance (at 220 nm): ≤ 0.10
Absorbance (at 225 nm): ≤ 0.07
Absorbance (at 235 nm): ≤ 0.05
Absorbance (at 245 nm): ≤ 0.01
Absorbance (from 255 nm): ≤ 0.004
Meet the requirements of "Specific use spectroscopy" according ACS and Reag. Ph Eur

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

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

Safety Information

• Pictograms: GHS02,GHS07,GHS08,GHS09
• Signal Word: Danger
• Hazard Statements: H225 - H304 - H315 - H336 - H410
• Precautionary Statements: 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 Code: 3 - Flammable liquids
• WGK: WGK 2
• Flash Point(F): 10.4 °F - closed cup
• Flash Point(C): -12 °C - closed cup