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CAS 626-77-7

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Propyl hexanoate

Description:
Propyl hexanoate, with the CAS number 626-77-7, is an ester formed from the reaction of propanol and hexanoic acid. It is characterized by its pleasant fruity aroma, often reminiscent of apples or pears, making it a popular choice in the flavor and fragrance industries. This compound is a colorless liquid at room temperature and is soluble in organic solvents, but has limited solubility in water due to its hydrophobic nature. Propyl hexanoate has a relatively low boiling point, which contributes to its volatility and aroma. Its molecular formula is C11H22O2, and it has a molecular weight that reflects its structure as an ester. In terms of safety, it is generally considered to have low toxicity, but standard precautions should be taken when handling it, as with any chemical substance. Propyl hexanoate is also used in various applications, including as a solvent and in the production of certain polymers.
Formula:C9H18O2
InChI:InChI=1S/C9H18O2/c1-3-5-6-7-9(10)11-8-4-2/h3-8H2,1-2H3
InChI key:InChIKey=HTUIWRWYYVBCFT-UHFFFAOYSA-N
SMILES:C(C(OCCC)=O)CCCC
Synonyms:
  • 1-Propyl n-caproate
  • Caproic Acid Propyl Ester
  • Caproicacidpropylestergradei
  • Fema 2949
  • Hexanoic acid, propyl ester
  • N-Propyl Caproate
  • N-Propyl N-Caproate
  • NSC 53784
  • Propyl Caproate
  • Propyl Hexanoate
  • n-Propyl hexanoate
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