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CAS 11139-91-6

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Hexanoin

Description:
Hexanoin, also known as 2-hexanone or hexan-2-one, is a ketone with the molecular formula C6H12O. It is characterized by a six-carbon chain with a carbonyl group (C=O) located at the second carbon, which classifies it as a simple aliphatic ketone. Hexanoin is a colorless liquid with a distinctive odor, often described as sweet or fruity. It is soluble in organic solvents such as ethanol and ether but has limited solubility in water. The substance is used in various applications, including as a solvent in chemical processes, in the production of fragrances, and as an intermediate in organic synthesis. Hexanoin can participate in various chemical reactions typical of ketones, such as nucleophilic addition and oxidation. Safety data indicates that it should be handled with care, as it may cause irritation to the skin, eyes, and respiratory system. Proper safety measures, including the use of personal protective equipment, are recommended when working with this compound.
Formula:C6H12O2·xC3H8O3
InChI:InChI=1S/C6H12O2.C3H8O3/c1-2-3-4-5-6(7)8;4-1-3(6)2-5/h2-5H2,1H3,(H,7,8);3-6H,1-2H2
InChI key:InChIKey=YEAZPMHWNDZTLC-UHFFFAOYSA-N
SMILES:C(CCCC)C(O)=O.C(CO)(CO)O
Synonyms:
  • Hexanoic acid, ester with 1,2,3-propanetriol
  • Imwitor 642
  • Hexanoin
  • Glycerol hexanoate
  • Caproin
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