CAS 100545-64-0

4-(2-Methylbutyl)phenyl 4-(decyloxy)benzoate

Description:

4-(2-Methylbutyl)phenyl 4-(decyloxy)benzoate, with the CAS number 100545-64-0, is an organic compound characterized by its ester functional group, which is formed from the reaction of a phenolic compound and a fatty alcohol. This substance features a phenyl ring substituted with a 2-methylbutyl group and a decyloxy group, contributing to its hydrophobic properties. The presence of the long decyloxy chain enhances its solubility in non-polar solvents, making it suitable for applications in various fields, including materials science and organic electronics. Its molecular structure suggests potential uses as a plasticizer or in the formulation of surfactants. Additionally, the compound may exhibit interesting thermal and optical properties, which could be beneficial in the development of liquid crystal displays or other advanced materials. As with many organic compounds, safety data should be consulted to understand its handling and potential hazards in practical applications.

Formula: C₂₈H₄₀O₃

InChI: InChI=1S/C28H40O3/c1-4-6-7-8-9-10-11-12-21-30-26-19-15-25(16-20-26)28(29)31-27-17-13-24(14-18-27)22-23(3)5-2/h13-20,23H,4-12,21-22H2,1-3H3

InChI key: InChIKey=AXTSICLPKIDIMY-UHFFFAOYSA-N

SMILES: O(C(=O)C1=CC=C(OCCCCCCCCCC)C=C1)C2=CC=C(CC(CC)C)C=C2

Synonyms:

• 4-(2-Methylbutyl)phenyl 4-(decyloxy)benzoate
• Benzoic acid, 4-(decyloxy)-, 4-(2-methylbutyl)phenyl ester

Benzoic acid, 4-(decyloxy)-, 4-(2-methylbutyl)phenyl ester

CAS: 100545-64-0

Formula: C₂₈H₄₀O₃

Molecular weight: 424.6154

Ref: IN-DA0002BD