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CAS 50649-60-0

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Benzoic acid, 4-propyl-, 4-pentylphenyl ester

Description:
Benzoic acid, 4-propyl-, 4-pentylphenyl ester, with the CAS number 50649-60-0, is an organic compound characterized by its ester functional group, which is formed from the reaction of benzoic acid and an alcohol. This compound features a benzoic acid moiety substituted with a propyl group at the para position and a pentylphenyl group also at the para position. It is typically a colorless to pale yellow liquid or solid, depending on the specific conditions and purity. The presence of the aromatic rings contributes to its stability and potential for various applications, including use as a fragrance or flavoring agent in the food and cosmetic industries. Additionally, its hydrophobic nature suggests limited solubility in water but good solubility in organic solvents. The compound may exhibit moderate toxicity, and safety precautions should be taken when handling it. Overall, its unique structure and properties make it of interest in both industrial and research contexts.
Formula:C21H26O2
InChI:InChI=1S/C21H26O2/c1-3-5-6-8-18-11-15-20(16-12-18)23-21(22)19-13-9-17(7-4-2)10-14-19/h9-16H,3-8H2,1-2H3
InChI key:InChIKey=WNBFPAKRCJNBBS-UHFFFAOYSA-N
SMILES:O(C(=O)C1=CC=C(CCC)C=C1)C2=CC=C(CCCCC)C=C2
Synonyms:
  • Benzoic acid, 4-propyl-, 4-pentylphenyl ester
  • p-Pentylphenyl p-propylbenzoate
  • (4-Pentylphenyl) 4-propylbenzoate
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