Cas no 118791-48-3 (4-Methoxy-3-(pentyloxy)benzaldehyde)

4-Methoxy-3-(pentyloxy)benzaldehyde is a synthetic aromatic aldehyde characterized by its methoxy and pentyloxy substituents on the benzene ring. This compound is commonly utilized as an intermediate in organic synthesis, particularly in the production of fragrances, pharmaceuticals, and specialty chemicals. Its dual alkoxy groups enhance solubility in organic solvents, facilitating reactions under mild conditions. The aldehyde functional group provides a reactive site for further derivatization, such as condensation or reduction reactions. The compound’s stability and well-defined structure make it suitable for controlled synthetic applications. Proper handling is recommended due to its potential sensitivity to light and oxidation.
4-Methoxy-3-(pentyloxy)benzaldehyde structure
118791-48-3 structure
Product Name:4-Methoxy-3-(pentyloxy)benzaldehyde
CAS No:118791-48-3
MF:C13H18O3
MW:222.280224323273
MDL:MFCD06742799
CID:1207978
PubChem ID:4913397
Update Time:2025-05-19

4-Methoxy-3-(pentyloxy)benzaldehyde Chemical and Physical Properties

Names and Identifiers

    • Benzaldehyde, 4-methoxy-3-(pentyloxy)-
    • AKOS000202156
    • CS-0252442
    • SCHEMBL5111350
    • 118791-48-3
    • 4-methoxy-3-pentoxybenzaldehyde
    • G30154
    • EN300-60316
    • 4-methoxy-3-(pentyloxy)benzaldehyde
    • 4-methoxy-3-(pentyloxy)benzaldehyde, AldrichCPR
    • Z295453402
    • 4-Methoxy-3-(pentyloxy)benzaldehyde
    • MDL: MFCD06742799
    • Inchi: 1S/C13H18O3/c1-3-4-5-8-16-13-9-11(10-14)6-7-12(13)15-2/h6-7,9-10H,3-5,8H2,1-2H3
    • InChI Key: RBKOEPNLFQXHJD-UHFFFAOYSA-N
    • SMILES: O(C1C=C(C=O)C=CC=1OC)CCCCC

Computed Properties

  • Exact Mass: 222.12564
  • Monoisotopic Mass: 222.125594432g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 7
  • Complexity: 194
  • 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: 3.1
  • Topological Polar Surface Area: 35.5?2

Experimental Properties

  • PSA: 35.53

4-Methoxy-3-(pentyloxy)benzaldehyde Pricemore >>

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Additional information on 4-Methoxy-3-(pentyloxy)benzaldehyde

4-Methoxy-3-(pentyloxy)benzaldehyde: A Comprehensive Overview

4-Methoxy-3-(pentyloxy)benzaldehyde (CAS No. 118791-48-3) is a versatile aromatic compound with significant applications in various fields, including pharmaceuticals, agrochemicals, and materials science. This compound is characterized by its unique structure, which combines a benzaldehyde moiety with methoxy and pentyloxy substituents, making it a valuable building block for organic synthesis.

The molecular structure of 4-Methoxy-3-(pentyloxy)benzaldehyde is defined by a benzene ring substituted with a methoxy group at the para position and a pentyloxy group at the meta position relative to the aldehyde functional group. This arrangement imparts distinct electronic and steric properties to the molecule, influencing its reactivity and compatibility in different chemical reactions.

Recent studies have highlighted the potential of 4-Methoxy-3-(pentyloxy)benzaldehyde in drug discovery, particularly in the development of anti-inflammatory and anti-cancer agents. Researchers have explored its ability to modulate key signaling pathways involved in inflammation and tumor progression, demonstrating promising results in preclinical models.

In the realm of materials science, 4-Methoxy-3-(pentyloxy)benzaldehyde has been utilized as a precursor for the synthesis of advanced polymers and coatings. Its aldehyde group facilitates cross-linking reactions, enabling the creation of materials with enhanced mechanical and thermal stability.

Furthermore, 4-Methoxy-3-(pentyloxy)benzaldehyde has found applications in agrochemicals, where it serves as an intermediate in the synthesis of pesticides and herbicides. Its ability to interact with specific biochemical pathways in pests and weeds makes it a valuable component in sustainable agricultural practices.

Recent advancements in green chemistry have also focused on the development of eco-friendly synthesis methods for 4-Methoxy-3-(pentyloxy)benzaldehyde. Researchers have explored catalytic systems that minimize waste generation and energy consumption, aligning with global efforts to promote sustainable chemical manufacturing.

In conclusion, 4-Methoxy-3-(pentyloxy)benzaldehyde (CAS No. 118791-48-3) stands as a pivotal compound in modern organic chemistry, offering diverse applications across multiple industries. Its unique structure and reactivity continue to inspire innovative research directions, underscoring its importance as a key building block for future discoveries.

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