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CAS 922-28-1

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3,4-Dimethylheptane

Description:
3,4-Dimethylheptane is an organic compound classified as an alkane, specifically a branched-chain hydrocarbon. Its molecular formula is C9H20, indicating it consists of nine carbon atoms and twenty hydrogen atoms. The structure features two methyl groups attached to the heptane backbone, specifically at the 3rd and 4th carbon positions, which contributes to its branched nature. This branching affects its physical properties, such as boiling and melting points, making it generally lower than those of its straight-chain isomers. 3,4-Dimethylheptane is a colorless liquid at room temperature and is insoluble in water but soluble in organic solvents. It is primarily used as a solvent and in various chemical syntheses. The compound is also of interest in studies related to fuel properties and octane ratings due to its structure. As with many hydrocarbons, it is flammable and should be handled with care to avoid fire hazards. Safety data sheets should be consulted for specific handling and storage guidelines.
Formula:C9H20
InChI:InChI=1S/C9H20/c1-5-7-9(4)8(3)6-2/h8-9H,5-7H2,1-4H3
InChI key:InChIKey=MAKRYGRRIKSDES-UHFFFAOYSA-N
SMILES:C(C(CC)C)(CCC)C
Synonyms:
  • 3,4-Dimethylheptane
  • Heptane, 3,4-dimethyl-
  • NSC 158678
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