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CAS 3522-94-9

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2,2,5-Trimethylhexane

Description:
2,2,5-Trimethylhexane is an organic compound classified as an alkane, specifically a branched-chain hydrocarbon. Its molecular formula is C11H24, indicating it consists of 11 carbon atoms and 24 hydrogen atoms. This compound is characterized by its branched structure, which contributes to its relatively low boiling point compared to straight-chain alkanes of similar molecular weight. It is a colorless liquid at room temperature and is insoluble in water but soluble in organic solvents. 2,2,5-Trimethylhexane is primarily used as a reference fuel in octane rating tests due to its high octane number, making it valuable in the automotive industry. Additionally, it has applications in the production of various chemical intermediates and as a solvent. The compound is stable under normal conditions but should be handled with care due to its flammability. Its physical and chemical properties make it an important substance in both industrial and laboratory settings.
Formula:C9H20
InChI:InChI=1S/C9H20/c1-8(2)6-7-9(3,4)5/h8H,6-7H2,1-5H3
InChI key:InChIKey=HHOSMYBYIHNXNO-UHFFFAOYSA-N
SMILES:C(C(C)(C)C)CC(C)C
Synonyms:
  • Hexane, 2,2,5-trimethyl-
  • 2,2,5-Trimethylhexane
  • NSC 65657
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