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CAS 2216-33-3

:

3-Methyloctane

Description:
3-Methyloctane 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 a straight-chain octane backbone with a methyl group (–CH3) attached to the third carbon atom, which contributes to its branched nature. This compound is a colorless liquid at room temperature and is typically insoluble in water but soluble in organic solvents. 3-Methyloctane is known for its use as a reference fuel in octane rating tests, as it exhibits good combustion properties. Its physical properties include a relatively low boiling point and a moderate density compared to other hydrocarbons. Additionally, it is flammable and should be handled with care in a controlled environment. As with many alkanes, it is relatively stable under normal conditions but can undergo combustion reactions in the presence of oxygen, producing carbon dioxide and water.
Formula:C9H20
InChI:InChI=1S/C9H20/c1-4-6-7-8-9(3)5-2/h9H,4-8H2,1-3H3
InChI key:InChIKey=SEEOMASXHIJCDV-UHFFFAOYSA-N
SMILES:C(CCCCC)(CC)C
Synonyms:
  • 218-686-7
  • NSC 23689
  • Octane, 3-Methyl-
  • 3-Methyloctane
  • (±)-3-Methyloctane
  • 3-METHYLOCTANE
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