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CAS 1248-43-7

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1-Octyl 2-(phenylmethyl) 1,2-benzenedicarboxylate

Description:
1-Octyl 2-(phenylmethyl) 1,2-benzenedicarboxylate, with the CAS number 1248-43-7, is an organic compound that belongs to the class of benzenedicarboxylates. This substance features a long hydrophobic octyl chain, which contributes to its lipophilicity, making it soluble in organic solvents but less soluble in water. The presence of the phenylmethyl group enhances its aromatic character and may influence its interactions with other molecules. Typically, compounds like this are used in various applications, including as plasticizers, additives in polymers, or in the formulation of surfactants. The structure suggests potential for intermolecular interactions such as π-π stacking due to the aromatic rings, which could affect its physical properties like melting and boiling points. Additionally, the presence of carboxylate groups may impart some degree of polarity, influencing its reactivity and compatibility with other substances. Safety data should be consulted for handling and exposure guidelines, as with any chemical substance.
Formula:C23H28O4
InChI:InChI=1/C23H28O4/c1-2-3-4-5-6-12-17-26-22(24)20-15-10-11-16-21(20)23(25)27-18-19-13-8-7-9-14-19/h7-11,13-16H,2-6,12,17-18H2,1H3
InChI key:InChIKey=WHHSHXMIKFVAEK-UHFFFAOYSA-N
SMILES:C(OCC1=CC=CC=C1)(=O)C2=C(C(OCCCCCCCC)=O)C=CC=C2
Synonyms:
  • Benzyl octyl phthalate
  • Phthalic acid, benzyl octyl ester
  • 1,2-Benzenedicarboxylic acid, octyl phenylmethyl ester
  • 1-Octyl 2-(phenylmethyl) 1,2-benzenedicarboxylate
  • 1,2-Benzenedicarboxylic acid, 1-octyl 2-(phenylmethyl) ester
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