1.15440

Isooctane

for gas chromatography ECD and FID SupraSolv^®

• 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
• NACRES: NA.03

Properties

• vapor density: 3.9 (vs air)
• Quality Level: 100
• vapor pressure: 41 mmHg ( 21 °C)
• product line: SupraSolv^®
• Assay: ≥99.8% (GC)
• form: liquid
• autoignition temp.: 745 °F
• potency: >2500 mg/kg LD₅₀, oral (Rat)
• expl. lim.: 6 %
• technique(s): gas chromatography (GC): suitable
• refractive index: n20/D 1.391 (lit.)
• pH: 7
• bp: 98-99 °C (lit.)
• mp: −107 °C (lit.)
• transition temp: flash point -12 °C
• solubility: 0.56 mg/L
• 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

SupraSolv^® ECD and FID is specially developed for gas chromatography in combination with ECD (Electron Capture Detector) and FID (Flame Ionization detector). SupraSolv^® solvents offer the largest specified retention time range, a clear baseline and a minimum signal-to-noise ratio leading to reliable and reproducible analysis results.

Application

Ideal for GC applications including sensitive detection in residue and environmental analysis.
The product is reported for used as a solvent in analyses of:

• commercial technical mixtures (aroclors) and in environmental samples for polychlorinated dibenzo-p-dioxins (PCDD), polychlorinated dibenzofurans (PCDF) and polychlorinated biphenyls (PCB) by high resolution gas chromatography coupled to electron capture detector (HRGC-ECD)
• sewage and soil samples for PCB congeners using HRGC-ECD or HRGC in conjunction with high resolution mass spectrometry (HRMS)

Specifications

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

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

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

Safety Information

• Pictograms: GHS02,GHS08,GHS07,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