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CAS 40239-27-8

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3-Propyl-2-hexanone

Description:
3-Propyl-2-hexanone, with the CAS number 40239-27-8, is a ketone characterized by its six-carbon chain and a propyl group attached to the third carbon of the chain. This compound features a carbonyl group (C=O) located at the second carbon, which is typical for ketones, contributing to its reactivity and properties. It is a colorless to pale yellow liquid with a distinctive odor, often described as sweet or fruity. The substance is moderately soluble in water but more soluble in organic solvents, reflecting its hydrophobic nature due to the long carbon chain. 3-Propyl-2-hexanone is used in various applications, including as a solvent and in the synthesis of other organic compounds. Its boiling point and melting point are influenced by its molecular structure, and it exhibits typical ketone reactivity, such as nucleophilic addition reactions. Safety data should be consulted for handling, as it may pose health risks if inhaled or ingested.
Formula:C9H18O
InChI:InChI=1S/C9H18O/c1-4-6-9(7-5-2)8(3)10/h9H,4-7H2,1-3H3
InChI key:InChIKey=RXFAGYKLLRXFDX-UHFFFAOYSA-N
SMILES:C(CCC)(CCC)C(C)=O
Synonyms:
  • 3-Propyl-2-hexanone
  • Methyl 1-propylbutyl ketone
  • 1,1-Dipropylacetone
  • 2-Hexanone, 3-propyl-
  • 3-Propylhexane-2-one
  • Sodium Valproate Impurity P
  • 3-propylhexan-2-one
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