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CAS 120-50-3

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Isobutyl benzoate

Description:
Isobutyl benzoate is an organic compound classified as an ester, formed from the reaction of isobutanol and benzoic acid. It is characterized by its colorless to pale yellow liquid appearance and has a pleasant, fruity odor, making it useful in the fragrance and flavoring industries. The compound is relatively non-polar, which contributes to its solubility in organic solvents while being less soluble in water. Isobutyl benzoate has a moderate boiling point and exhibits low volatility, which enhances its stability in various applications. It is commonly used as a plasticizer, solvent, and in the formulation of coatings and adhesives. Additionally, it has applications in the cosmetic industry due to its emollient properties. Safety data indicates that it should be handled with care, as it may cause irritation upon contact with skin or eyes. Overall, isobutyl benzoate is valued for its functional properties in industrial and consumer products.
Formula:C11H14O2
InChI:InChI=1S/C11H14O2/c1-9(2)8-13-11(12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChI key:InChIKey=KYZHGEFMXZOSJN-UHFFFAOYSA-N
SMILES:C(OCC(C)C)(=O)C1=CC=CC=C1
Synonyms:
  • 2-Methylpropyl benzoate
  • Benzoic acid iso-butyl ester
  • Benzoic acid isobutyl ester
  • Benzoic acid, 2-methylpropyl ester
  • Isobutyl benzoate, (Benzoic acid isobutyl ester)
  • NSC 6580
  • Isobutyl benzoate
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