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CAS 13195-73-8

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3-Octyl-2,4-pentanedione

Description:
3-Octyl-2,4-pentanedione, with the CAS number 13195-73-8, is an organic compound characterized by its diketone structure, featuring two carbonyl groups (C=O) located at the 2 and 4 positions of a five-carbon chain, with an octyl group attached at the 3-position. This compound is typically a colorless to pale yellow liquid with a distinctive odor. It is soluble in organic solvents such as ethanol and ether but has limited solubility in water due to its hydrophobic octyl chain. The presence of the diketone functional groups imparts reactivity, allowing it to participate in various chemical reactions, including condensation and oxidation. 3-Octyl-2,4-pentanedione is often used in organic synthesis and may serve as a flavoring agent or fragrance component in certain applications. Additionally, its structural features may contribute to its potential biological activity, making it of interest in various fields, including medicinal chemistry and materials science. Safety data should be consulted for handling and exposure guidelines.
Formula:C13H24O2
InChI:InChI=1S/C13H24O2/c1-4-5-6-7-8-9-10-13(11(2)14)12(3)15/h13H,4-10H2,1-3H3
InChI key:InChIKey=KOMWCCYRQJBJDF-UHFFFAOYSA-N
SMILES:C(CCCCCCCC)(C(C)=O)C(C)=O
Synonyms:
  • 3-Acetyl-2-undecanone
  • 2,4-Pentanedione, 3-octyl-
  • 3-Octyl-2,4-pentanedione
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