Isooctane, with an octane rating of 100, is widely used as a key component in high-octane gasoline blends to enhance fuel performance and reduce engine knocking.

It serves as a reference standard in determining octane ratings for gasoline, helping evaluate fuel performance and anti-knock properties in internal combustion engines. Its high resistance to knocking makes it an ideal benchmark for comparing the efficiency of motor fuels.

It is also employed as a non-polar solvent in laboratories for extractions and analytical procedures, particularly in chromatography.

Due to its clean-burning and consistent combustion characteristics, it serves as a calibration fuel in engine testing and emissions research.

Additionally, it is used in some specialty applications such as fuel additives testing and as a component in reference fuel blends.