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CAS 79887-13-1

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1-Ethynyl-4-octylbenzene

Description:
1-Ethynyl-4-octylbenzene, with the CAS number 79887-13-1, is an organic compound characterized by its structure, which features a benzene ring substituted with an ethynyl group and an octyl chain. This compound is part of the alkyl-substituted phenyl compounds, which often exhibit hydrophobic properties due to the long hydrocarbon chain. The presence of the ethynyl group introduces a triple bond, contributing to its reactivity and potential applications in organic synthesis and materials science. Typically, compounds like 1-ethynyl-4-octylbenzene may be used in the production of polymers, as intermediates in chemical synthesis, or in the development of functional materials. Its physical properties, such as boiling point, melting point, and solubility, would be influenced by the size of the octyl group and the presence of the ethynyl moiety. Safety data and handling precautions should be considered, as with any chemical substance, to ensure safe usage in laboratory or industrial settings.
Formula:C16H22
InChI:InChI=1S/C16H22/c1-3-5-6-7-8-9-10-16-13-11-15(4-2)12-14-16/h2,11-14H,3,5-10H2,1H3
InChI key:InChIKey=FPSPMWQTTQJAGI-UHFFFAOYSA-N
SMILES:C(CCCCCCC)C1=CC=C(C#C)C=C1
Synonyms:
  • 1-Eth-1-ynyl-4-(octyl)benzene
  • 1-Ethynyl-4-Octylbenzene
  • 4-Octylphenylacetylene
  • Benzene, 1-ethynyl-4-octyl-
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