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CAS 20278-89-1

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3,4,5-Trimethylheptane

Description:
3,4,5-Trimethylheptane is an organic compound classified as an alkane, specifically a branched-chain hydrocarbon. Its molecular formula is C10H22, indicating it consists of ten carbon atoms and twenty-two hydrogen atoms. This compound features three methyl groups attached to a heptane backbone, which contributes to its branched structure. 3,4,5-Trimethylheptane is a colorless liquid at room temperature and is known for its relatively high octane rating, making it a valuable component in gasoline formulations to enhance fuel performance and reduce knocking in engines. The compound is insoluble in water but soluble in organic solvents, reflecting typical alkane behavior. Its boiling point is higher than that of straight-chain alkanes of similar molecular weight due to the increased branching, which reduces intermolecular forces. Additionally, 3,4,5-trimethylheptane is used in research and industrial applications, particularly in studies related to fuel properties and combustion efficiency. Safety precautions should be observed when handling this substance, as it can be flammable and may pose health risks if inhaled or ingested.
Formula:C10H22
InChI:InChI=1/C10H22/c1-6-8(3)10(5)9(4)7-2/h8-10H,6-7H2,1-5H3
InChI key:InChIKey=LJIIBBYARMPSMT-UHFFFAOYSA-N
SMILES:C(C(CC)C)(C(CC)C)C
Synonyms:
  • Heptane, 3,4,5-Trimethyl-
  • 3,4,5-Trimethylheptane
  • 3,4,5-trimethyl-heptan
  • 3,4,5-TRIMETHYL HEPTANE
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