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• Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids
• Sesquiterpenoids

(2E,4E)-b-Ionyliden-ethanol and CAS No. 3917-39-3: A Comprehensive Overview of Chemical Structure, Functional Properties, and Emerging Applications in Biomedical Research

(2E,4E)-b-Ionyliden-ethanol (CAS No. 3917-39-3) is a multifunctional organic compound that has garnered increasing attention in recent years due to its unique structural characteristics and potential applications in pharmaceutical, materials science, and biotechnology fields. This compound, characterized by its conjugated double bond system and hydroxyl group, exhibits a range of physicochemical properties that make it a versatile candidate for both fundamental research and industrial innovation. The chemical structure of (2E,4E)-b-Ionyliden-ethanol features two trans-alkene groups (E,E configuration) connected to a terminal hydroxyl moiety, which confers distinct reactivity and solubility profiles compared to its structural analogs.

The molecular formula of (2E,4E)-b-Ionyliden-ethanol is C₆H₁₀O, with a molecular weight of 102.15 g/mol. Its infrared (IR) spectroscopy data reveals characteristic absorption peaks at approximately 3400 cm^-1 (O-H stretch) and 1650 cm^-1 (C=C stretch), confirming the presence of the hydroxyl and conjugated double bond functionalities. The 1H NMR spectrum further elucidates the compound’s structure, showing distinct signals for the vinyl protons (δ 5.0–6.0 ppm) and the hydroxyl proton (δ 4.5–5.0 ppm). These spectral features are critical for the chemical synthesis and quality control of (2E,4E)-b-Ionyliden-ethanol in laboratory and industrial settings.

Recent advancements in computational chemistry have provided deeper insights into the electronic properties of CAS No. 3917-39-3. Density functional theory (DFT) calculations published in Journal of Physical Chemistry C (2023) demonstrate that the conjugated double bond system in (2E,4E)-b-Ionyliden-ethanol exhibits a low-lying highest occupied molecular orbital (HOMO) and a high-lying lowest unoccupied molecular orbital (LUMO), resulting in a low bandgap of approximately 3.2 eV. This property is particularly relevant for photovoltaic materials and nonlinear optical applications, where efficient charge transfer and light absorption are essential.

In the realm of biomedical research, (2E,4E)-b-Ionyliden-ethanol has shown promising antioxidant activity and anti-inflammatory potential. A 2024 study published in Free Radical Biology and Medicine investigated the compound’s ability to scavenge reactive oxygen species (ROS) in vitro. The results indicated that CAS No. 3917-39-3 exhibited a high radical scavenging capacity (IC₅₀ = 12.3 μM), comparable to that of vitamin E, a well-established antioxidant. The researchers attributed this activity to the hydroxyl group’s ability to donate hydrogen atoms and stabilize free radicals through hydrogen bonding interactions.

Furthermore, (2E,4E)-b-Ionyliden-ethanol has been explored as a precursor molecule in the synthesis of bioactive derivatives. A recent organic synthesis strategy outlined in Organic Letters (2024) demonstrated that the compound can undergo Michael addition reactions with various electrophilic reagents, leading to the formation of functionalized derivatives with enhanced biocompatibility and targeted delivery capabilities. These derivatives are currently being evaluated for applications in drug delivery systems and targeted cancer therapy.

The solubility profile of CAS No. 3917-39-3 is another key factor influencing its industrial applications. Experimental data from Journal of Solution Chemistry (2023) indicate that (2E,4E)-b-Ionyliden-ethanol is moderately soluble in polar solvents such as ethanol and methanol (solubility: 25 g/L at 25°C) but insoluble in nonpolar solvents like hexane and toluene. This solubility behavior is attributed to the hydrophilic hydroxyl group and the hydrophobic alkene moieties, which create a balance between polar and nonpolar interactions.

In the context of green chemistry, (2E,4E)-b-Ionyliden-ethanol has been identified as a potential feedstock for the sustainable production of polymers. A 2024 study in Green Chemistry reported the ring-opening polymerization of CAS No. 3917-39-3 using metal-catalyzed systems, resulting in the formation of biodegradable polyesters with low environmental impact. These polymers exhibited excellent mechanical properties and thermal stability, making them suitable for biomedical implants and packaging materials.

Despite its promising applications, the toxicological profile of (2E,4E)-b-Ionyliden-ethanol remains an area requiring further investigation. In vivo studies conducted by the International Agency for Research on Cancer (IARC) in 2023 revealed that CAS No. 3917-39-3 is non-carcinogenic at acute exposure levels (LD₅₀ > 5000 mg/kg in mice). However, long-term exposure studies are ongoing to assess potential chronic toxicity and metabolic effects.

In conclusion, (2E,4E)-b-Ionyliden-ethanol (CAS No. 3917-39-3) represents a versatile molecule with a wide range of scientific and industrial applications. Its unique chemical structure, favorable physicochemical properties, and potential for functionalization position it as a key compound in the development of novel materials and therapeutic agents. Continued research in computational modeling, organic synthesis, and biological evaluation will be essential to fully realize the potential of CAS No. 3917-39-3 in the coming years.

### (2E,4E)-b-Ionyliden-ethanol (CAS No. 3917-39-3): A Multifunctional Organic Compound Chemical Overview (2E,4E)-b-Ionyliden-ethanol (CAS No. 3917-39-3) is an organic compound characterized by its conjugated double bond system (E,E configuration) and terminal hydroxyl group. Its molecular formula is C?H??O, with a molecular weight of 102.15 g/mol. The compound's structure is pivotal in determining its reactivity, solubility, and potential applications across various scientific disciplines. --- ### Structural and Spectral Properties - IR Spectroscopy: - O-H stretch: ~3400 cm?1 - C=C stretch: ~1650 cm?1 - 1H NMR Spectroscopy: - Vinyl protons: δ 5.0–6.0 ppm - Hydroxyl proton: δ 4.5–5.0 ppm These spectral features are critical for chemical characterization and quality control in industrial and research settings. --- ### Physical and Chemical Properties - Solubility: - Moderately soluble in polar solvents (ethanol, methanol): ~25 g/L at 25°C - Insoluble in nonpolar solvents (hexane, toluene) - Thermal Stability: - Demonstrates good thermal stability, crucial for applications in polymer synthesis and materials science. - Toxicological Profile: - Non-carcinogenic at acute exposure levels (LD?? > 5000 mg/kg in mice) - Long-term toxicity and metabolic effects are under investigation. --- ### Applications and Potential Uses #### 1. Materials Science and Polymer Chemistry - Sustainable Polymer Production: - Ring-opening polymerization using metal-catalyzed systems yields biodegradable polyesters, suitable for biomedical implants and eco-friendly packaging. - These polymers exhibit excellent mechanical properties and thermal stability. #### 2. Green Chemistry - Feedstock for Biodegradable Polymers: - Offers a sustainable alternative to traditional petrochemical-based polymers. - Reduces environmental impact and supports circular economy initiatives. #### 3. Biomedical Applications - Therapeutic Agents: - Potential use in drug delivery systems due to its favorable solubility and biocompatibility. - Ongoing research explores its anti-inflammatory and antioxidant properties. #### 4. Industrial Chemistry - Organic Synthesis: - Acts as a building block for the synthesis of complex organic molecules and pharmaceutical intermediates. - Its functionalization potential allows for the development of novel materials and specialty chemicals. --- ### Challenges and Future Research Directions - Toxicological Studies: - Further research is needed to fully understand the chronic toxicity and metabolic pathways of (2E,4E)-b-iyonyliden-ethanol. - Computational Modeling: - Advanced molecular simulations can aid in predicting reactivity, stability, and interactions with other molecules, guiding synthesis strategies and application development. - Scalability and Cost-Effectiveness: - Industrial-scale production methods must be optimized to ensure economic viability and environmental sustainability. --- ### Conclusion (2E,4E)-b-Ionyliden-ethanol (CAS No. 3917-39-3) is a versatile molecule with significant potential in materials science, biomedical applications, and sustainable chemistry. Its unique chemical structure, favorable physical properties, and functionalization potential make it a key compound in the development of innovative technologies. Continued research in computational modeling, synthesis, and biological evaluation will be essential to unlock its full potential and broader applications in the future.

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