Cas no 2229485-06-5 (4-(3,3-Dimethylcyclohexyl)butan-2-one)

4-(3,3-Dimethylcyclohexyl)butan-2-one structure
2229485-06-5 structure
Product Name:4-(3,3-Dimethylcyclohexyl)butan-2-one
CAS No:2229485-06-5
MF:C12H22O
MW:182.302484035492
CID:5599795
PubChem ID:165697353
Update Time:2025-10-29

4-(3,3-Dimethylcyclohexyl)butan-2-one Chemical and Physical Properties

Names and Identifiers

    • 4-(3,3-dimethylcyclohexyl)butan-2-one
    • 2229485-06-5
    • EN300-1734919
    • 4-(3,3-Dimethylcyclohexyl)butan-2-one
    • Inchi: 1S/C12H22O/c1-10(13)6-7-11-5-4-8-12(2,3)9-11/h11H,4-9H2,1-3H3
    • InChI Key: RLJJMDFXWDROED-UHFFFAOYSA-N
    • SMILES: O=C(C)CCC1CCCC(C)(C)C1

Computed Properties

  • Exact Mass: 182.167065321g/mol
  • Monoisotopic Mass: 182.167065321g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 182
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.6
  • Topological Polar Surface Area: 17.1?2

4-(3,3-Dimethylcyclohexyl)butan-2-one Pricemore >>

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Additional information on 4-(3,3-Dimethylcyclohexyl)butan-2-one

4-(3,3-Dimethylcyclohexyl)butan-2-one (CAS No. 2229485-06-5): A Versatile Cyclohexyl Derivative with Expanding Applications

4-(3,3-Dimethylcyclohexyl)butan-2-one (CAS No. 2229485-06-5) is an emerging cyclohexyl derivative that has garnered significant attention in specialty chemical markets. This ketone compound features a unique molecular structure combining a 3,3-dimethylcyclohexyl group with a butanone moiety, creating valuable properties for various industrial applications.

The compound's molecular formula C12H22O and molecular weight of 182.30 g/mol make it particularly interesting for researchers developing new fragrance ingredients and flavor intermediates. Recent patent filings indicate growing interest from the perfume industry, where its woody-amber olfactory profile shows promise as a sustainable alternative to traditional musk compounds.

From a chemical perspective, 4-(3,3-Dimethylcyclohexyl)butan-2-one exhibits several notable characteristics. The dimethyl-substituted cyclohexane ring provides exceptional stability against oxidation, while the ketone functionality offers multiple sites for chemical modification. These properties answer frequent search queries about stable fragrance carriers and versatile chemical building blocks in organic synthesis.

Current market research shows increasing demand for 4-(3,3-Dimethylcyclohexyl)butan-2-one in green chemistry applications. Its potential as a bio-based solvent aligns with the industry's shift toward sustainable alternatives, addressing common searches for eco-friendly chemical solutions. The compound's low volatility and excellent solvency power make it suitable for specialty coating formulations.

In pharmaceutical research, this cyclohexyl ketone derivative has shown promise as a chiral intermediate for drug development. Its rigid cyclohexyl structure provides the steric hindrance needed for asymmetric synthesis, answering frequent queries about sterically hindered ketones in medicinal chemistry. Several recent studies have explored its use in developing central nervous system (CNS) active compounds.

The synthesis of 4-(3,3-Dimethylcyclohexyl)butan-2-one typically involves Grignard reactions or hydrogenation processes, topics frequently searched by synthetic chemists. Process optimization continues to be an active research area, with particular focus on improving atom economy and reducing environmental impact - key concerns in modern chemical manufacturing.

Analytical characterization of CAS 2229485-06-5 reveals distinctive spectral features. The carbonyl stretching vibration appears around 1715 cm?1 in IR spectroscopy, while NMR analysis shows characteristic signals from the tertiary dimethyl groups (δ ~0.9 ppm) and methylene protons adjacent to the ketone (δ ~2.1 ppm). These analytical signatures help address common identification challenges reported by quality control laboratories.

Storage and handling recommendations for 4-(3,3-Dimethylcyclohexyl)butan-2-one follow standard practices for ketone compounds. The material should be kept in airtight containers away from strong oxidizers, with recommended storage temperatures below 30°C. These precautions respond to frequent safety-related searches from laboratory personnel working with oxygenated solvents.

Emerging applications for 4-(3,3-Dimethylcyclohexyl)butan-2-one include its use in electronic materials and liquid crystal formulations. The compound's dielectric properties and thermal stability make it suitable for specialty electronics applications, aligning with growing interest in high-performance materials for next-generation devices.

Global market projections suggest steady growth for cyclohexyl-based specialty chemicals like 4-(3,3-Dimethylcyclohexyl)butan-2-one, with particular expansion expected in the Asia-Pacific region. This responds to increasing searches for market analysis of fine chemicals and specialty ketone derivatives by industry analysts and investors.

Environmental fate studies indicate that 4-(3,3-Dimethylcyclohexyl)butan-2-one undergoes biodegradation under aerobic conditions, addressing concerns about persistent organic compounds. Its low aquatic toxicity profile makes it an attractive option for formulators seeking environmentally benign ingredients, a topic frequently searched by sustainability-focused chemists.

Future research directions for CAS 2229485-06-5 may explore its potential in catalysis and material science applications. The compound's steric and electronic properties suggest possible utility as a ligand precursor in transition metal catalysis, answering growing interest in sterically demanding ligands for asymmetric synthesis.

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