Cas no 681443-54-9 (Benzaldehyde, 3-ethoxy-5-methoxy- (9CI))

Benzaldehyde, 3-ethoxy-5-methoxy- (9CI) structure
681443-54-9 structure
Product Name:Benzaldehyde, 3-ethoxy-5-methoxy- (9CI)
CAS No:681443-54-9
MF:C10H12O3
MW:180.200483322144
CID:1022419
PubChem ID:3256678
Update Time:2025-07-17

Benzaldehyde, 3-ethoxy-5-methoxy- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Benzaldehyde, 3-ethoxy-5-methoxy- (9CI)
    • 3-ethoxy-5-methoxybenzaldehyde
    • 681443-54-9
    • E97736
    • SCHEMBL13444759
    • DTXSID00390716
    • BENZALDEHYDE, 3-ETHOXY-5-METHOXY-
    • DB-284839
    • Inchi: 1S/C10H12O3/c1-3-13-10-5-8(7-11)4-9(6-10)12-2/h4-7H,3H2,1-2H3
    • InChI Key: ZVUXDBJOKROUNH-UHFFFAOYSA-N
    • SMILES: O(CC)C1C=C(C=O)C=C(C=1)OC

Computed Properties

  • Exact Mass: 180.079
  • Monoisotopic Mass: 180.079
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 158
  • 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: 1.7
  • Topological Polar Surface Area: 35.5?2

Benzaldehyde, 3-ethoxy-5-methoxy- (9CI) Pricemore >>

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Additional information on Benzaldehyde, 3-ethoxy-5-methoxy- (9CI)

Comprehensive Overview of Benzaldehyde, 3-ethoxy-5-methoxy- (9CI) (CAS No. 681443-54-9)

Benzaldehyde, 3-ethoxy-5-methoxy- (9CI), with the CAS number 681443-54-9, is a specialized aromatic aldehyde compound that has garnered significant attention in the fields of organic synthesis, fragrance development, and pharmaceutical research. This compound, characterized by its unique ethoxy and methoxy substituents, offers a versatile chemical scaffold for various applications. Its molecular structure, featuring a benzaldehyde core with ether-linked functional groups, makes it a valuable intermediate in the synthesis of complex organic molecules.

In recent years, the demand for Benzaldehyde derivatives has surged due to their role in creating flavor and fragrance compounds. The 3-ethoxy-5-methoxy substitution pattern in this particular derivative enhances its olfactory properties, making it a sought-after ingredient in perfumery. Researchers and industry professionals frequently search for "Benzaldehyde derivatives in perfumery" or "CAS 681443-54-9 applications," reflecting the growing interest in this niche chemical.

From a synthetic chemistry perspective, CAS 681443-54-9 serves as a key building block in the preparation of more complex molecules. Its reactivity, particularly at the aldehyde functional group, allows for diverse transformations, including condensation reactions and nucleophilic additions. This versatility aligns with the current trend in "green chemistry" and "sustainable synthesis," as researchers seek eco-friendly methods to utilize such intermediates. The compound's stability under various conditions also makes it a reliable candidate for "high-yield organic reactions," a topic frequently explored in academic and industrial settings.

The pharmaceutical industry has shown increasing interest in 3-ethoxy-5-methoxy benzaldehyde due to its potential as a precursor in drug discovery. Its structural motifs are found in several bioactive molecules, prompting searches for "benzaldehyde derivatives in medicinal chemistry." The compound's ability to interact with biological targets, combined with its modifiable functional groups, positions it as a valuable tool in developing new therapeutic agents. This aligns with the broader trend of "fragment-based drug design," where small molecules like this serve as starting points for optimizing drug candidates.

Analytical chemists and quality control specialists often investigate "characterization methods for CAS 681443-54-9" to ensure purity and proper identification. Advanced techniques such as HPLC, GC-MS, and NMR spectroscopy are commonly employed to analyze this compound. The growing emphasis on "chemical purity standards" in research and manufacturing has made proper characterization of specialty chemicals like this benzaldehyde derivative increasingly important.

In material science applications, researchers exploring "functionalized benzaldehydes for polymer synthesis" have examined Benzaldehyde, 3-ethoxy-5-methoxy- (9CI) as a potential monomer or cross-linking agent. Its aromatic ring and ether functionalities offer interesting possibilities for creating novel polymeric materials with specific thermal or optical properties. This connects to the broader scientific interest in "smart materials" and "advanced organic materials."

The compound's stability profile and solubility characteristics make it suitable for various formulation applications, leading to searches for "solubility parameters of 3-ethoxy-5-methoxy benzaldehyde." Understanding these physical properties is crucial for researchers working on "chemical formulation optimization" in different industries. The balance between its polar substituents and aromatic core gives it unique solvation behavior that can be tailored for specific applications.

From a regulatory standpoint, while CAS 681443-54-9 is not classified as hazardous, proper handling procedures are still essential, as with all chemical substances. This aligns with the increasing focus on "laboratory safety best practices" and "chemical handling protocols" in educational and industrial settings. The compound's material safety data sheet (MSDS) provides detailed information about its proper storage and handling conditions.

Looking toward future applications, Benzaldehyde, 3-ethoxy-5-methoxy- (9CI) shows promise in emerging fields such as "organic electronics" and "molecular sensors." Its conjugated π-system and functional group diversity make it an interesting candidate for designing organic semiconductors or sensing materials. These potential applications connect with the growing interest in "next-generation electronic materials" and "environmental sensing technologies."

In conclusion, CAS 681443-54-9 represents a fascinating example of how subtle modifications to a simple benzaldehyde structure can yield a compound with diverse applications across multiple scientific disciplines. Its continued relevance in research and industry is evidenced by the persistent interest in topics like "benzaldehyde derivative synthesis," "specialty chemical applications," and "functional aromatic compounds." As scientific understanding advances and new technologies emerge, this compound will likely find even more innovative applications in the years to come.

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