6.04717

Isooctane

for chromatography

• Synonym(s): 2,2,4-Trimethylpentane, Isooctane
• Linear Formula: (CH₃)₂CHCH₂C(CH₃)₃
• CAS Number: 540-84-1
• Molecular Weight: 114.23
• Beilstein: 1696876
• MDL number: MFCD00008943
• UNSPSC Code: 12352001

Properties

• grade: for chromatography
• Quality Level: 100
• vapor density: 3.9 (vs air)
• vapor pressure: 41 mmHg ( 21 °C)
• autoignition temp.: 745 °F
• expl. lim.: 6 %
• refractive index: n20/D 1.391 (lit.)
• bp: 98-99 °C (lit.)
• mp: −107 °C (lit.)
• density: 0.692 g/mL at 25 °C (lit.)
• 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

Isooctaneis a volatile organic solvent used in chromatography, often as an exchange solventfor analyzing multiclass pesticide residues together with hexane and toluene.

Application

Isooctane can be used as:

• A solvent in the liquid chromatograph-massspectrometer-computer analytical system for the separation of several polynuclear hydrocarbons.
• One of the eluent solvents in the normal-phase analysis of lipids.

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