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CAS 50802-52-3

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Benzoic acid, 4-pentyl-, 4-(hexyloxy)phenyl ester

Description:
Benzoic acid, 4-pentyl-, 4-(hexyloxy)phenyl ester, also known by its CAS number 50802-52-3, 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 phenyl ring substituted with a pentyl group and a hexyloxy group, contributing to its hydrophobic properties. It is typically a colorless to pale yellow liquid or solid, depending on the temperature and purity. The presence of long hydrocarbon chains in its structure enhances its lipophilicity, making it soluble in organic solvents but less soluble in water. This compound may exhibit properties such as low volatility and moderate thermal stability, which can be advantageous in various applications, including as a plasticizer or in the formulation of surfactants. Additionally, its unique structure may impart specific biological activities, making it of interest in fields such as pharmaceuticals or materials science. Safety data should be consulted for handling and potential toxicity.
Formula:C24H32O3
InChI:InChI=1S/C24H32O3/c1-3-5-7-9-19-26-22-15-17-23(18-16-22)27-24(25)21-13-11-20(12-14-21)10-8-6-4-2/h11-18H,3-10,19H2,1-2H3
InChI key:InChIKey=QOSDDNTYRMLJLY-UHFFFAOYSA-N
SMILES:O(C(=O)C1=CC=C(CCCCC)C=C1)C2=CC=C(OCCCCCC)C=C2
Synonyms:
  • (4-Hexoxyphenyl) 4-pentylbenzoate
  • 4-(Hexyloxy)Phenyl 4-Pentylbenzoate
  • 4-Hexyloxyphenyl-4′-pentyl benzoate
  • 4-n-Pentylbenzoic acid 4-n-hexyloxyphenyl ester
  • Benzoic acid, 4-pentyl-, 4-(hexyloxy)phenyl ester
  • p-(Hexyloxy)phenyl p-pentylbenzoate
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