Cas no 54226-17-4 ((7E,9Z)-β-Ionylidene Acetaldehyde)

(7E,9Z)-β-Ionylidene Acetaldehyde is a high-purity synthetic aldehyde derivative with a distinctive ionone-like structure, characterized by its (7E,9Z) double-bond configuration. This compound is valued for its role as a key intermediate in the synthesis of fine chemicals, particularly in the fragrance and flavor industry, where it contributes to the creation of complex, woody, and floral notes. Its well-defined stereochemistry ensures consistent performance in applications requiring precise molecular control. The compound’s stability and reactivity make it suitable for further functionalization, enabling tailored modifications in advanced organic synthesis. Its low impurity profile and high selectivity enhance reproducibility in research and industrial processes.
(7E,9Z)-β-Ionylidene Acetaldehyde structure
54226-17-4 structure
Product Name:(7E,9Z)-β-Ionylidene Acetaldehyde
CAS No:54226-17-4
MF:C15H22O
MW:218.334584712982
MDL:MFCD18379503
CID:355139
PubChem ID:9859261
Update Time:2025-06-14

(7E,9Z)-β-Ionylidene Acetaldehyde Chemical and Physical Properties

Names and Identifiers

    • 2,4-Pentadienal, 3-methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)-,(2Z,4E)-
    • (7E,9Z)-β-Ionylidene Acetaldehyde
    • (7E,9Z)-Β-IONYLIDENE ACETALDEHYDE,YELLOW OIL
    • (2Z)-3-methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4-pentadienal
    • (2Z,4E)-3-Methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4-pentadienal
    • (2Z,4E)-3-methyl-5-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-2,4-dienal
    • (2Z,4E)-3-methyl-5-(2,6,6-trimethyl-cyclohex-1-enyl)-
    • (2Z,4E)-3-methyl-5-[2,6,6-trimethylcyclohex-1-enyl]penta-2,4-dienal
    • (7E,9Z)-
    • (Z,E)-3-Methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4-pentadienal
    • A-Ionylideneacetaldehyde
    • HF36R5J7B2
    • AC8982
    • .BETA.-IONYLIDENEACETALDEHYDE, (7E,9Z)-
    • A-Ionylidene Acetaldehyde
    • beta-Ionylideneacetaldehyde, (7E,9Z)-
    • (2Z,4E)-3-Methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)penta-2,4-dienal
    • UNII-HF36R5J7B2
    • SCHEMBL8565948
    • (7E,9Z)-.BETA.-IONYLIDENEACETALDEHYDE
    • 54226-17-4
    • (2Z,4E)-3-Methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienal
    • 2,4-Pentadienal, 3-methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2Z,4E)-
    • (7E,9Z)-beta-Ionylideneacetaldehyde
    • DTXSID30431944
    • (7E,9Z)-beta-Ionylidene acetaldehyde
    • MDL: MFCD18379503
    • Inchi: 1S/C15H22O/c1-12(9-11-16)7-8-14-13(2)6-5-10-15(14,3)4/h7-9,11H,5-6,10H2,1-4H3/b8-7+,12-9-
    • InChI Key: OPSSCPNCFKJCFR-GHYOLMRSSA-N
    • SMILES: O=C/C=C(/C)\C=C\C1=C(C)CCCC1(C)C

Computed Properties

  • Exact Mass: 218.167065321g/mol
  • Monoisotopic Mass: 218.167065321g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 354
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.3
  • Topological Polar Surface Area: 17.1?2

(7E,9Z)-β-Ionylidene Acetaldehyde Pricemore >>

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Additional information on (7E,9Z)-β-Ionylidene Acetaldehyde

Comprehensive Overview of (7E,9Z)-β-Ionylidene Acetaldehyde (CAS No. 54226-17-4): Properties, Applications, and Industry Trends

(7E,9Z)-β-Ionylidene Acetaldehyde (CAS No. 54226-17-4) is a highly specialized organic compound renowned for its unique aromatic properties and versatile applications in the fragrance and flavor industries. This unsaturated aldehyde, derived from the degradation of carotenoids, exhibits a distinctive woody-floral odor profile, making it a prized ingredient in premium perfumery. Its molecular structure, featuring conjugated double bonds at the 7E and 9Z positions, contributes to its stability and reactivity in synthetic pathways.

In recent years, the demand for natural-inspired fragrance compounds has surged, driven by consumer preferences for sustainable and eco-friendly products. (7E,9Z)-β-Ionylidene Acetaldehyde aligns with this trend, as it mimics the olfactory characteristics of natural violet leaf absolutes while offering superior cost efficiency and scalability. Perfumers frequently utilize this compound to create green, earthy accords in fine fragrances, body care products, and home scents. Its compatibility with other aldehydes and terpenes enhances its utility in complex formulations.

The synthesis of CAS No. 54226-17-4 typically involves catalytic isomerization or oxidation of ionone derivatives, a process refined to achieve high stereoselectivity and yield. Advanced analytical techniques like GC-MS and NMR are employed to verify the 7E,9Z configuration, ensuring compliance with international fragrance standards (IFRA). Researchers are also exploring its potential as an intermediate in pharmaceutical synthesis, particularly for bioactive molecules with anti-inflammatory properties, though this remains an emerging area of study.

From an SEO perspective, queries such as "natural violet fragrance alternatives", "sustainable aroma chemicals", and "ionone-derived aldehydes uses" reflect growing market interest. Environmental concerns have spurred innovations in green chemistry approaches for producing (7E,9Z)-β-Ionylidene Acetaldehyde, including biocatalysis and solvent-free reactions. These methods reduce waste and energy consumption, addressing the industry’s push toward carbon-neutral manufacturing.

In regulatory contexts, 54226-17-4 is classified as non-hazardous under standard safety assessments, though proper handling protocols are recommended due to its aldehyde functionality. Its low volatility and moderate persistence make it suitable for long-lasting fragrance applications without significant environmental accumulation. The compound’s odor threshold (detectable at ppm levels) and synergistic effects with musk or citrus notes are frequently discussed in perfumery forums.

Future developments may focus on enantioselective synthesis to isolate specific stereoisomers for tailored scent profiles. As AI-driven fragrance design gains traction, computational models are being trained to predict the olfactory impact of β-Ionylidene derivatives, further optimizing their use in bespoke formulations. With its balance of artistry and science, (7E,9Z)-β-Ionylidene Acetaldehyde exemplifies the intersection of tradition and innovation in modern aroma chemistry.

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