Cas no 40654-35-1 (methyl 4-n-hexadecyloxybenzoate)

Methyl 4-n-hexadecyloxybenzoate is a liquid crystalline ester derivative with a hexadecyloxy chain, exhibiting mesomorphic properties suitable for advanced material applications. Its long alkyl chain enhances thermal stability and promotes ordered molecular alignment, making it valuable in the study of smectic and nematic phases. The compound's well-defined structure allows for precise modulation of phase transition temperatures, facilitating its use in liquid crystal displays (LCDs) and other optoelectronic devices. Its compatibility with other mesogens enables tailored formulations for specific performance requirements. The ester linkage ensures chemical stability, while the aromatic core contributes to optical anisotropy, supporting applications in photonic and electro-optical systems.
methyl 4-n-hexadecyloxybenzoate structure
40654-35-1 structure
Product Name:methyl 4-n-hexadecyloxybenzoate
CAS No:40654-35-1
MF:C24H40O3
MW:376.57260799408
MDL:MFCD00026641
CID:926041
PubChem ID:4689974
Update Time:2025-05-20

methyl 4-n-hexadecyloxybenzoate Chemical and Physical Properties

Names and Identifiers

    • methyl 4-n-hexadecyloxybenzoate
    • methyl 4-hexadecoxybenzoate
    • METHYL P-HEXADECYLOXYBENZOATE
    • Methyl 4-hexadecyloxybenzoate
    • SCHEMBL3052051
    • AKOS015839849
    • CHEMBL3273793
    • MFCD00026641
    • METHYL 4-(HEXADECYLOXY)BENZOATE
    • 40654-35-1
    • DTXSID20405598
    • MDL： MFCD00026641
    • Inchi： 1S/C24H40O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-27-23-19-17-22(18-20-23)24(25)26-2/h17-20H,3-16,21H2,1-2H3
    • InChI Key： WQOJBUZKWYRALG-UHFFFAOYSA-N
    • SMILES： O(C1C=CC(C(=O)OC)=CC=1)CCCCCCCCCCCCCCCC

Computed Properties

  • Exact Mass: 376.29800
  • Monoisotopic Mass: 376.29774513g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 18
  • Complexity: 335
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 9.6
  • Topological Polar Surface Area: 35.5?2

Experimental Properties

  • PSA: 35.53000
  • LogP: 7.33330

methyl 4-n-hexadecyloxybenzoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB357780-10 g
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 €141.50 2023-04-26
abcr
AB357780-10g
Methyl p-hexadecyloxybenzoate; .
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 €141.50 2025-02-15
1PlusChem
1P00C7XX-10g
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 $114.00 2024-05-03
A2B Chem LLC
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 40654-35-1
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 $107.00 2024-04-20

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