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CS-W001157 4
Total: USD 88.00

4-n-Pentylphenyl-4-methylbenzoate

  • CAS No. 50649-59-7

  • Cat. No. CS-W012260
  • Purity≥98%
  • MDL No.MFCD01076322

*For research and further manufacturing use only, not for direct human use.

4-n-Pentylphenyl-4-methylbenzoate|CS-W012260

Structure of 50649-59-7

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General Information

  • CAS No. 50649-59-7
  • Cat. No. CS-W012260
  • Purity ≥98%
  • MDL No. MFCD01076322
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₉H₂₂O₂
  • Molecular Weight 282.38
  • Synonym(s) 4-pentylphenyl-4'-methylbenzoate
  • SMILES O=C(OC1=CC=C(CCCCC)C=C1)C2=CC=C(C)C=C2

Description

This liquid crystal compound features a flexible pentyl chain linked to a phenyl ring, paired with a methyl-substituted benzoate ester. The extended alkyl spacer enhances molecular fluidity and phase stability, while the para-methyl group influences dipole alignment. Ideal for tuning mesophase behavior in high-performance display applications.

Application

4-n-Pentylphenyl-4-methylbenzoate serves as a robust liquid crystalline building block, enabling the construction of thermotropic mesophases through its well-defined rod-like molecular architecture. The ester linkage provides synthetic versatility for derivatization, while the aliphatic alkyl chain enhances solubility and phase transition tunability. Its high thermal stability and predictable self-assembly behavior make it suitable for applications in display technologies and functional materials research.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   4.94692
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   6

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