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CAS 4032-86-4

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3,3-Dimethylheptane

Description:
3,3-Dimethylheptane 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 a heptane backbone with two methyl groups attached to the third carbon atom, contributing to its branched structure. 3,3-Dimethylheptane is a colorless liquid at room temperature and is known for its relatively low volatility and high boiling point compared to straight-chain alkanes of similar molecular weight. It is insoluble in water but soluble in organic solvents, making it useful in various industrial applications, including as a solvent and in fuel formulations. The compound is also of interest in research related to octane ratings in fuels, as its branched structure can influence combustion characteristics. Safety considerations include flammability and potential health hazards upon inhalation or skin contact, necessitating appropriate handling and storage measures.
Formula:C9H20
InChI:InChI=1S/C9H20/c1-5-7-8-9(3,4)6-2/h5-8H2,1-4H3
InChI key:InChIKey=BVAKDOXCVSMKHE-UHFFFAOYSA-N
SMILES:C(CCCC)(CC)(C)C
Synonyms:
  • 3,3-Dimethyl heptane
  • Heptane, 3,3-dimethyl-
  • 3,3-Dimethylheptane
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