Cas no 180274-34-4 (Benzenepropanal, 4-ethyl-2-Methyl-)
Benzenepropanal, 4-ethyl-2-Methyl- Chemical and Physical Properties
Names and Identifiers
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- Benzenepropanal, 4-ethyl-2-Methyl-
- 3-(4-ETHYL-2-METHYLPHENYL)PROPANAL
- LogP
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- 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 >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A014005342-250mg |
4-Ethyl-2-methylphenylpropanal |
180274-34-4 | 97% | 250mg |
504.00 USD | 2021-06-22 | |
| Alichem | A014005342-500mg |
4-Ethyl-2-methylphenylpropanal |
180274-34-4 | 97% | 500mg |
863.90 USD | 2021-06-22 | |
| Alichem | A014005342-1g |
4-Ethyl-2-methylphenylpropanal |
180274-34-4 | 97% | 1g |
1,549.60 USD | 2021-06-22 |
Benzenepropanal, 4-ethyl-2-Methyl- Related Literature
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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4. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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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