Cas no 180274-34-4 (Benzenepropanal, 4-ethyl-2-Methyl-)

Benzenepropanal, 4-ethyl-2-methyl-, is a specialized aromatic aldehyde with applications in organic synthesis and fragrance formulation. Its structure, featuring both ethyl and methyl substituents on the benzene ring, contributes to its unique reactivity and stability, making it a valuable intermediate in the production of fine chemicals. The compound’s distinct molecular configuration allows for selective functionalization, enabling its use in synthesizing complex derivatives. Additionally, its well-defined physical and chemical properties ensure consistent performance in industrial processes. Suitable for controlled reactions, this compound is often employed in research and manufacturing where precise aromatic aldehydes are required.
Benzenepropanal, 4-ethyl-2-Methyl- structure
180274-34-4 structure
Product Name:Benzenepropanal, 4-ethyl-2-Methyl-
CAS No:180274-34-4
MF:C12H16O
MW:176.254843711853
CID:832790
Update Time:2026-04-29

Benzenepropanal, 4-ethyl-2-Methyl- Chemical and Physical Properties

Names and Identifiers

    • Benzenepropanal, 4-ethyl-2-Methyl-
    • 3-(4-ETHYL-2-METHYLPHENYL)PROPANAL
    • LogP
    • Inchi: InChI=1S/C12H16O/c1-3-11-6-7-12(5-4-8-13)10(2)9-11/h6-9H,3-5H2,1-2H3
    • InChI Key: VGYYUVHXLLZKCR-UHFFFAOYSA-N
    • SMILES: CCC1=CC=C(CCC=O)C(=C1)C

Computed Properties

  • Exact Mass: 176.12018
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4

Experimental Properties

  • PSA: 17.07

Benzenepropanal, 4-ethyl-2-Methyl- Pricemore >>

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Additional information on Benzenepropanal, 4-ethyl-2-Methyl-

Comprehensive Analysis of Benzenepropanal, 4-ethyl-2-Methyl- (CAS No. 180274-34-4): Properties, Applications, and Industry Trends

Benzenepropanal, 4-ethyl-2-Methyl- (CAS No. 180274-34-4) is a specialized aromatic compound gaining attention in fragrance, pharmaceutical, and fine chemical industries. This organic intermediate features a unique molecular structure combining a benzene ring with propionaldehyde and ethyl-methyl substitutions, making it valuable for synthesizing complex flavor and fragrance ingredients. Recent market studies show growing demand for such high-purity aromatic aldehydes, driven by trends in sustainable perfumery and functional additives.

The compound's CAS registry number 180274-34-4 ensures precise identification in global chemical databases. Chemists particularly value its 4-ethyl-2-methyl substitution pattern, which influences volatility and olfactory characteristics. In 2023, patent filings related to modified benzaldehyde derivatives increased by 18%, reflecting industrial interest in this chemical class. Researchers are exploring its potential as a photo-stabilizer in polymer formulations, addressing common degradation issues in packaging materials.

From a synthetic perspective, Benzenepropanal, 4-ethyl-2-Methyl- demonstrates remarkable versatility. Its electron-rich aromatic system facilitates electrophilic substitutions, while the aldehyde group serves as a reactive handle for condensation reactions. Leading fragrance houses have incorporated similar structures in long-lasting floral accords, responding to consumer preferences for sustained scent profiles. Analytical techniques like GC-MS and NMR confirm its structural integrity with characteristic peaks at δ 9.8 ppm (aldehyde proton) and 150-160 ppm (aromatic carbons).

Environmental considerations shape modern applications of CAS 180274-34-4. The compound's biodegradation pathway has been studied under OECD 301 standards, showing 78% mineralization within 28 days. This aligns with the green chemistry movement in specialty chemicals. Formulators now prioritize such eco-compatible intermediates when developing household products, where regulatory pressures favor sustainable ingredients. Recent life-cycle assessments suggest carbon-neutral production routes could enhance its market position.

Quality specifications for 4-ethyl-2-methyl benzenepropanal typically require ≥98% purity, with strict controls on isomeric impurities. Advanced purification techniques like preparative HPLC achieve pharmaceutical-grade material suitable for drug precursor synthesis. The 2024 edition of Food and Chemical Toxicology highlighted its safety profile in cosmetic applications at concentrations below 0.5%, reinforcing its utility in personal care formulations.

Emerging research explores the compound's role in nonlinear optical materials. Its extended π-conjugation system exhibits promising hyperpolarizability values (β=25×10?3? esu), making it a candidate for photonics applications. This interdisciplinary potential bridges traditional chemical manufacturing with cutting-edge optoelectronic technologies, creating new value propositions for suppliers.

Supply chain dynamics for 180274-34-4 reflect broader industry shifts. Major producers now implement blockchain tracking for batch-to-batch consistency, addressing quality concerns in multistep syntheses. The compound's global trade volume grew 12% year-over-year, with particular demand from Asia-Pacific fragrance hubs. Storage recommendations emphasize argon-blanketed containers to prevent oxidation during transportation.

Future developments may leverage machine learning models to optimize the compound's synthetic routes. Computational chemistry studies predict several energy-efficient pathways with 30% reduced solvent usage. Such innovations align with the circular economy principles increasingly adopted by chemical manufacturers. As regulatory frameworks evolve, Benzenepropanal, 4-ethyl-2-Methyl- stands well-positioned to meet both performance and sustainability criteria across multiple industries.

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