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CAS 103-58-2

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3-Phenylpropyl isobutyrate

Description:
3-Phenylpropyl isobutyrate, with the CAS number 103-58-2, is an organic compound classified as an ester. It is formed from the reaction of isobutyric acid and 3-phenylpropanol. This substance typically appears as a colorless to pale yellow liquid with a pleasant, fruity aroma, making it useful in the fragrance and flavoring industries. Its molecular structure features a phenyl group attached to a propyl chain, which contributes to its aromatic properties. 3-Phenylpropyl isobutyrate is known for its moderate volatility and relatively low solubility in water, but it is soluble in organic solvents. The compound is often utilized in the formulation of perfumes, cosmetics, and food flavorings due to its appealing scent profile. Additionally, it may exhibit low toxicity, but safety data should be consulted for specific handling and exposure guidelines. Overall, 3-Phenylpropyl isobutyrate is valued for its aromatic qualities and versatility in various applications.
Formula:C13H18O2
InChI:InChI=1/C13H18O2/c1-11(2)13(14)15-10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3
InChI key:InChIKey=VBTAKMZSMFMLGT-UHFFFAOYSA-N
SMILES:C(CCOC(C(C)C)=O)C1=CC=CC=C1
Synonyms:
  • 1-Propanol, 3-phenyl-, isobutyrate
  • 3-Phenylpropyl 2-methylpropanoate
  • 3-Phenylpropyl isobutyrate (natural)
  • Brn 2454387
  • FEMA No. 2893
  • Hydrocinnamyl 2-methylpropanoate
  • Hydrocinnamyl isobutyrate
  • Isobutyric acid, 3-phenylpropyl ester
  • NSC 6039
  • Nsc 404455
  • See more synonyms
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