Octane

Octane is a component of gasoline and petroleum. Under standard temperature and pressure, octane is a colorless liquid. Like other short-chained alkanes with a low molecular weight, it is volatile, flammable, and toxic. Octane is 1.2 to 2 times more toxic than heptane.

Isomers

N-octane has 23 constitutional isomers. 8 of these isomers have one stereocenter; 3 of them have two stereocenters.

Achiral isomers:

• 2-Methylheptane
• 4-Methylheptane
• 3-Ethylhexane
• 2,2-Dimethylhexane
• 2,5-Dimethylhexane
• (meso)-3,4-Dimethylhexane
• 3,3-Dimethylhexane
• 3-Ethyl-2-methylpentane
• 3-Ethyl-3-methylpentane
• 2,2,4-Trimethylpentane (i.e. iso-octane)
• 2,3,3-Trimethylpentane
• 2,3,4-Trimethylpentane
• 2,2,3,3-Tetramethylbutane

Chiral isomers:

• (3R)-3-Methylheptane
• (3S)-3-Methylheptane
• (3R)-2,3-Dimethylhexane
• (3S)-2,3-Dimethylhexane
• (4R)-2,4-Dimethylhexane
• (4S)-2,4-Dimethylhexane
• (3R,4R)-3,4-Dimethylhexane
• (3S,4S)-3,4-Dimethylhexane
• (3R)-2,2,3-Trimethylpentane
• (3S)-2,2,3-Trimethylpentane