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CAS 2216-32-2

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4-Ethylheptane

Description:
4-Ethylheptane 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. This compound features a heptane backbone with an ethyl group attached to the fourth carbon, which contributes to its branched structure. 4-Ethylheptane is a colorless liquid at room temperature and is typically insoluble in water due to its nonpolar nature, but it is soluble in organic solvents. It has a relatively high boiling point compared to straight-chain alkanes of similar molecular weight, reflecting the influence of branching on boiling point elevation. This compound is primarily used in research and industrial applications, including as a reference standard in gas chromatography. Additionally, 4-Ethylheptane can be found in various petroleum products and is of interest in studies related to fuel properties and combustion characteristics. Safety precautions should be observed when handling this substance, as it may pose health risks if inhaled or ingested.
Formula:C9H20
InChI:InChI=1S/C9H20/c1-4-7-9(6-3)8-5-2/h9H,4-8H2,1-3H3
InChI key:InChIKey=XMROPFQWHHUFFS-UHFFFAOYSA-N
SMILES:C(CCC)(CCC)CC
Synonyms:
  • 4-Ethylheptane
  • Heptane, 4-ethyl-
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