Cas no 17606-96-1 (Cyclooctanecarboxylic acid, 3-oxo-, methyl ester)

Cyclooctanecarboxylic acid, 3-oxo-, methyl ester is a cyclic keto ester with the molecular formula C??H??O?. This compound is characterized by its eight-membered ring structure, incorporating a ketone functionality at the 3-position and an ester group. It serves as a versatile intermediate in organic synthesis, particularly in the preparation of complex cyclic frameworks and fine chemicals. The ester moiety enhances its reactivity in nucleophilic substitution and condensation reactions, while the ketone group allows for further functionalization. Its stability and well-defined structure make it suitable for applications in pharmaceuticals, agrochemicals, and specialty materials research. The compound is typically handled under standard laboratory conditions, ensuring consistent performance in synthetic workflows.
Cyclooctanecarboxylic acid, 3-oxo-, methyl ester structure
17606-96-1 structure
Product Name:Cyclooctanecarboxylic acid, 3-oxo-, methyl ester
CAS No:17606-96-1
MF:C10H16O3
MW:184.232243537903
MDL:MFCD32899656
CID:1362812
Update Time:2025-11-06

Cyclooctanecarboxylic acid, 3-oxo-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • Cyclooctanecarboxylic acid, 3-oxo-, methyl ester
    • 3-Oxo-cyclooctanecarboxylic acid methyl ester
    • MDL: MFCD32899656
    • Inchi: 1S/C10H16O3/c1-13-10(12)8-5-3-2-4-6-9(11)7-8/h8H,2-7H2,1H3
    • InChI Key: VPAHKBSPHQBKIG-UHFFFAOYSA-N
    • SMILES: C1(C(OC)=O)CCCCCC(=O)C1

Computed Properties

  • Exact Mass: 184.10998

Experimental Properties

  • Density: 1.046±0.06 g/cm3(Predicted)
  • Boiling Point: 270.9±33.0 °C(Predicted)
  • PSA: 43.37

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Additional information on Cyclooctanecarboxylic acid, 3-oxo-, methyl ester

Comprehensive Overview of Cyclooctanecarboxylic acid, 3-oxo-, methyl ester (CAS No. 17606-96-1)

Cyclooctanecarboxylic acid, 3-oxo-, methyl ester (CAS No. 17606-96-1) is a specialized organic compound widely recognized for its unique structural properties and versatile applications in synthetic chemistry and material science. This ester derivative, featuring an eight-membered cyclooctane ring with a 3-oxo (ketone) functional group and a methyl ester moiety, has garnered significant attention due to its role as a key intermediate in the synthesis of fragrances, pharmaceuticals, and advanced polymers. Researchers and industry professionals frequently search for terms like "synthesis of cyclooctane derivatives", "applications of methyl esters in organic chemistry", and "CAS 17606-96-1 uses", reflecting its relevance in both academic and industrial settings.

The compound's cyclooctane backbone contributes to its conformational flexibility, making it a valuable building block for designing macrocyclic compounds. Recent studies highlight its potential in green chemistry initiatives, where sustainable synthesis methods are prioritized. Searches for "biodegradable ester compounds" and "eco-friendly chemical intermediates" align with growing environmental concerns, positioning Cyclooctanecarboxylic acid, 3-oxo-, methyl ester as a candidate for greener industrial processes. Its stability under moderate conditions also makes it suitable for catalysis research, a trending topic in AI-driven drug discovery platforms.

From a spectroscopic perspective, the compound's ketone and ester groups exhibit distinct IR and NMR signatures, often discussed in forums querying "spectral analysis of cyclic ketones". Analytical chemists value these features for quality control in production batches. Additionally, its compatibility with ring-closing metathesis (a popular search term in organic synthesis) enables the construction of complex cyclic architectures, further expanding its utility in medicinal chemistry for target-specific molecule design.

In material science, the compound's lipophilic character and low volatility (frequently searched as "high-boiling-point esters") make it an attractive candidate for plasticizer formulations and specialty coatings. With increasing demand for "non-phthalate alternatives" in consumer products, this methyl ester derivative presents a viable option. Recent patents also explore its incorporation into bio-based polymers, addressing the surge in searches for "renewable material additives".

Safety profiles of Cyclooctanecarboxylic acid, 3-oxo-, methyl ester are another common inquiry ("CAS 17606-96-1 safety data"). While not classified as hazardous under standard regulations, proper handling protocols are emphasized in technical datasheets. The compound's low aquatic toxicity (a key phrase in environmental impact assessments) aligns with global regulatory trends favoring benign-by-design chemicals.

Ongoing research investigates its potential in flavor and fragrance applications, particularly for musk-like odorants. This connects to popular searches like "sustainable perfume ingredients" and "cyclic ketone fragrances". The compound's ability to undergo selective reduction to corresponding alcohols expands its utility in creating odorant libraries, a hot topic in computational chemistry-assisted product development.

In summary, Cyclooctanecarboxylic acid, 3-oxo-, methyl ester (CAS No. 17606-96-1) represents a multifaceted chemical entity bridging traditional organic synthesis with modern sustainable chemistry demands. Its alignment with trending search topics—from "circular economy chemicals" to "high-value fine chemicals"—ensures continued scientific and commercial interest, while its structural features offer ample opportunities for innovation across multiple disciplines.

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