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CAS 6789-88-4

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Hexyl benzoate

Description:
Hexyl benzoate is an organic compound classified as an ester, formed from the reaction of hexanol and benzoic acid. It is characterized by its clear, colorless to pale yellow liquid appearance and has a pleasant, fruity odor, making it useful in the fragrance and flavoring industries. With a molecular formula of C13H18O2, hexyl benzoate exhibits moderate solubility in water but is more soluble in organic solvents such as ethanol and ether. Its boiling point is relatively high, indicative of its larger molecular structure, and it has a low vapor pressure, which contributes to its stability in various applications. Hexyl benzoate is often used as a plasticizer in polymers, enhancing flexibility and durability, and as a solvent in cosmetic formulations. Additionally, it has applications in the production of perfumes and as a flavoring agent in food products. Safety data indicates that it should be handled with care, as with many chemical substances, to avoid potential skin or eye irritation.
Formula:C13H18O2
InChI:InChI=1S/C13H18O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3
InChI key:InChIKey=UUGLJVMIFJNVFH-UHFFFAOYSA-N
SMILES:C(OCCCCCC)(=O)C1=CC=CC=C1
Synonyms:
  • 1-Hexyl benzoate
  • Benzoic acid, hexyl ester
  • Hexyl alcohol, benzoate
  • n-Hexyl benzoate
  • n-Hexyl benzoate, (Benzoic acid n-hexyl ester)
  • Hexyl benzoate
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