Cas no 20013-73-4 (2,6,6-trimethyl-2-cyclohexen-1-one)

2,6,6-Trimethyl-2-cyclohexen-1-one is a cyclic enone compound characterized by its distinct structural framework, featuring a cyclohexenone core with three methyl substituents. This compound is valued for its utility as a key intermediate in organic synthesis, particularly in the production of fragrances, flavors, and pharmaceuticals. Its conjugated carbonyl system enhances reactivity, making it suitable for Michael additions, Diels-Alder reactions, and other transformations. The steric hindrance from the trimethyl groups can influence regioselectivity in synthetic pathways. With a defined molecular weight and purity, it is commonly employed in research and industrial applications where precise chemical functionality is required.
2,6,6-trimethyl-2-cyclohexen-1-one structure
20013-73-4 structure
Product Name:2,6,6-trimethyl-2-cyclohexen-1-one
CAS No:20013-73-4
MF:C9H14O
MW:138.206862926483
CID:864874
Update Time:2026-04-29

2,6,6-trimethyl-2-cyclohexen-1-one Chemical and Physical Properties

Names and Identifiers

    • 2,6,6-trimethyl-2-cyclohexen-1-one
    • 2,6,6-trimethylcyclohex-2-en-1-one
    • 2,6,6-Trimethyl-2-cyclohexenone
    • 2,6,6-Trimethylcyclohex-2-enone
    • 5-Cyclohexen-1-one, 2,2,6-trimethyl

Computed Properties

  • Exact Mass: 138.10452
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 187
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: 2.2

Experimental Properties

  • PSA: 17.07

2,6,6-trimethyl-2-cyclohexen-1-one Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
T795968-250mg
2,6,6-Trimethyl-2-cyclohexen-1-one
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$253.00 2023-05-17
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$ 720.00 2022-06-02
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$ 1800.00 2023-09-05
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T795968-2500mg
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Additional information on 2,6,6-trimethyl-2-cyclohexen-1-one

Exploring the Versatile Applications and Properties of 2,6,6-Trimethyl-2-cyclohexen-1-one (CAS No. 20013-73-4)

2,6,6-Trimethyl-2-cyclohexen-1-one (CAS No. 20013-73-4) is a fascinating organic compound that has garnered significant attention in various industries due to its unique chemical structure and versatile applications. This cyclohexenone derivative is characterized by its distinct molecular framework, featuring a cyclohexene ring with a ketone functional group and three methyl substituents. The compound's chemical formula C9H14O and molecular weight of 138.21 g/mol make it an interesting subject for researchers and industrial applications alike.

The growing interest in 2,6,6-trimethyl cyclohexenone can be attributed to its role as a key intermediate in the synthesis of various fragrances, flavors, and pharmaceutical compounds. Recent trends in green chemistry and sustainable synthesis have brought renewed focus to this compound, as researchers explore more environmentally friendly methods for its production. The compound's floral, woody aroma characteristics make it particularly valuable in the perfume industry, where natural-inspired scents are currently in high demand among consumers.

From a chemical perspective, 2,6,6-trimethyl-2-cyclohexen-1-one exhibits several notable properties. The compound typically appears as a colorless to pale yellow liquid with a boiling point ranging between 90-95°C at 10 mmHg. Its refractive index (n20/D) of approximately 1.475 and density of about 0.915 g/mL at 25°C are important parameters for industrial applications. The compound's solubility profile shows good miscibility with most organic solvents, including ethanol, ether, and chloroform, while being practically insoluble in water.

The synthesis of 2,6,6-trimethyl cyclohexenone has evolved significantly in recent years. Traditional methods involving the oxidation of corresponding alcohols or dehydrogenation of saturated ketones are being supplemented by more innovative approaches. Current research focuses on catalytic processes that offer higher yields and better selectivity, addressing the growing demand for cost-effective production methods. These advancements are particularly relevant given the increasing emphasis on atom economy and waste reduction in chemical manufacturing.

In the flavor and fragrance industry, 2,6,6-trimethyl-2-cyclohexen-1-one serves as a crucial building block for creating complex scent profiles. Its molecular structure allows for various chemical modifications, enabling the creation of diverse aromatic compounds. The current market trend toward natural identical flavors has increased the demand for such versatile intermediates. Perfumers value this compound for its ability to contribute to floral accords, particularly in rose and violet scent compositions, which remain perennially popular in personal care products.

The pharmaceutical applications of CAS 20013-73-4 are equally noteworthy. Researchers have explored its potential as a precursor in the synthesis of various bioactive molecules. The compound's cyclic ketone structure makes it a valuable scaffold for drug development, particularly in creating molecules with specific stereochemical requirements. Recent studies have investigated its derivatives for potential biological activities, aligning with the growing interest in small molecule therapeutics and targeted drug delivery systems.

From a safety and handling perspective, 2,6,6-trimethyl-2-cyclohexen-1-one requires standard laboratory precautions. While not classified as hazardous under normal conditions, proper chemical handling procedures should always be followed. The compound should be stored in tightly sealed containers away from strong oxidizing agents and heat sources, reflecting general best practices for organic compound storage in industrial and research settings.

The market dynamics for 2,6,6-trimethyl cyclohexenone reflect broader trends in the specialty chemicals sector. With increasing demand from both developed and emerging economies, manufacturers are focusing on supply chain optimization and production scalability. The compound's price stability and consistent quality have made it a reliable choice for formulators across multiple industries. Recent analyses suggest steady growth in consumption, particularly in Asia-Pacific markets where the personal care industry is expanding rapidly.

Environmental considerations surrounding 2,6,6-trimethyl-2-cyclohexen-1-one have gained prominence in regulatory discussions. The compound's biodegradability profile and ecotoxicological data are increasingly important factors for manufacturers and end-users alike. Current research efforts focus on developing even more sustainable production pathways, including bio-catalytic methods and renewable feedstock utilization, addressing the chemical industry's broader sustainability goals.

Quality control for CAS 20013-73-4 typically involves rigorous analytical testing. Standard specifications include purity assessment by gas chromatography, determination of water content, and verification of physical properties. Advanced analytical techniques such as GC-MS and NMR spectroscopy are employed to ensure batch-to-batch consistency, meeting the stringent requirements of pharmaceutical and fragrance applications. These quality assurance measures are critical for maintaining the compound's reputation as a reliable chemical intermediate.

Future research directions for 2,6,6-trimethyl-2-cyclohexen-1-one are likely to focus on expanding its utility in emerging applications. Areas of particular interest include its potential in material science as a building block for specialty polymers and in agrochemical formulations where specific stereochemistry is required. The compound's versatility ensures it will remain relevant as chemical innovation continues to advance across multiple sectors.

For researchers and industry professionals seeking detailed technical information about 2,6,6-trimethyl cyclohexenone, numerous resources are available. Safety data sheets provide comprehensive handling guidelines, while scientific literature offers insights into novel applications. The compound's CAS registry number 20013-73-4 serves as a unique identifier for accessing these resources through chemical databases and research platforms, facilitating knowledge sharing and innovation in its diverse applications.

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