Cas no 13195-66-9 (3-Oxodecanoic Acid Ethyl Ester)

3-Oxodecanoic Acid Ethyl Ester is a keto ester compound with the molecular formula C??H??O?. It serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The presence of both a keto and ester functional group enhances its reactivity, making it suitable for condensation, alkylation, and other carbonyl-based transformations. Its structural properties allow for selective modifications, facilitating the synthesis of complex molecules. The ethyl ester group improves solubility in organic solvents, aiding in reaction handling and purification. This compound is valued for its stability and consistent performance in synthetic applications.
3-Oxodecanoic Acid Ethyl Ester structure
13195-66-9 structure
Product Name:3-Oxodecanoic Acid Ethyl Ester
CAS No:13195-66-9
MF:C12H22O3
MW:214.301284313202
CID:49097
PubChem ID:83224
Update Time:2025-10-29

3-Oxodecanoic Acid Ethyl Ester Chemical and Physical Properties

Names and Identifiers

    • Ethyl 3-oxodecanoate
    • 3-oxo-decanoic acid ethyl ester
    • 3-Oxo-decansaeure-aethylester
    • Decanoic acid,3-oxo-,ethyl ester
    • EINECS 236-157-9
    • ethyl 2-n-hexylacetoacetate
    • ethyl 3-oxidanylidenedecanoate
    • Capricacid, b-oxo-, ethyl ester (4CI)
    • 3-Oxodecanoic acid ethyl ester
    • Ethyl octanoylacetate
    • 3-Ketocapric acid ethyl ester
    • Decanoic acid, 3-oxo-, ethyl ester
    • AKOS022172951
    • A1-25164
    • BS-48994
    • 13195-66-9
    • SCHEMBL472723
    • MFCD09025652
    • NS00051666
    • E84556
    • A806343
    • FT-0755843
    • YZKPCVHTRBTTAX-UHFFFAOYSA-N
    • EN300-1127936
    • DTXSID20884581
    • DA-34058
    • DTXCID401024015
    • 3-Oxodecanoic Acid Ethyl Ester
    • MDL: MFCD09025652
    • Inchi: 1S/C12H22O3/c1-3-5-6-7-8-9-11(13)10-12(14)15-4-2/h3-10H2,1-2H3
    • InChI Key: YZKPCVHTRBTTAX-UHFFFAOYSA-N
    • SMILES: O=C(CC(=O)OCC)CCCCCCC

Computed Properties

  • Exact Mass: 214.15700
  • Monoisotopic Mass: 214.157
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 10
  • 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
  • Topological Polar Surface Area: 43.4A^2
  • XLogP3: 3.3

Experimental Properties

  • Color/Form: Colorless liquid
  • Density: 0.943
  • Boiling Point: 258.8?°C at 760 mmHg
  • Flash Point: 104.6 °C
  • Refractive Index: 1.436
  • PSA: 43.37000
  • LogP: 2.86920

3-Oxodecanoic Acid Ethyl Ester Security Information

  • Storage Condition:Sealed in dry,2-8°C

3-Oxodecanoic Acid Ethyl Ester Customs Data

  • HS CODE:2918300090
  • Customs Data:

    China Customs Code:

    2918300090

    Overview:

    2918300090 Other aldehydes or ketones without other oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:6.5%.General tariff:30.0%

3-Oxodecanoic Acid Ethyl Ester Pricemore >>

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3-Oxodecanoic Acid Ethyl Ester Related Literature

Additional information on 3-Oxodecanoic Acid Ethyl Ester

Comprehensive Overview of 3-Oxodecanoic Acid Ethyl Ester (CAS No. 13195-66-9): Properties, Applications, and Industry Insights

3-Oxodecanoic Acid Ethyl Ester (CAS No. 13195-66-9) is a specialized organic compound widely recognized for its versatile applications in fragrance synthesis, pharmaceutical intermediates, and biochemical research. This ester derivative of decanoic acid features a ketone group at the third carbon position, enhancing its reactivity and utility in organic transformations. With the growing demand for sustainable and high-purity ingredients in cosmetics and agrochemicals, 3-Oxodecanoic Acid Ethyl Ester has garnered significant attention from researchers and industrial formulators alike.

The compound’s molecular structure (C12H22O3) combines lipophilic and hydrophilic properties, making it an ideal candidate for emulsifiers and flavor enhancers. Recent studies highlight its role in green chemistry initiatives, where it serves as a biodegradable alternative to synthetic additives. Industry trends also indicate rising searches for "ethyl 3-oxodecanoate uses" and "CAS 13195-66-9 suppliers," reflecting its expanding commercial relevance.

In the fragrance industry, 3-Oxodecanoic Acid Ethyl Ester contributes to fruity and floral scent profiles, aligning with consumer preferences for natural-inspired aromas. Its stability under varying pH conditions further supports its use in personal care products. Analytical techniques like GC-MS and HPLC are commonly employed to verify the purity of this ester, ensuring compliance with international standards such as IFRA and REACH.

From a synthetic perspective, the compound’s β-keto ester functionality enables participation in Claisen condensations and Michael additions, pivotal reactions in drug discovery. Researchers exploring "3-oxo ester derivatives" often investigate its potential as a building block for bioactive molecules. Notably, its low toxicity profile (as documented in SDS reports) positions it favorably for applications requiring stringent safety assessments.

Market analysts project steady growth for 3-Oxodecanoic Acid Ethyl Ester, driven by innovations in sustainable manufacturing and functional ingredients. FAQs such as "how to synthesize 3-oxodecanoic acid ethyl ester" and "13195-66-9 solubility data" dominate technical forums, underscoring the need for accessible scientific data. Storage recommendations typically emphasize protection from moisture and oxidation to maintain shelf stability.

Environmental considerations also play a key role in its adoption. The compound’s moderate biodegradability, coupled with its derivation from renewable feedstocks in some production methods, aligns with circular economy principles. Regulatory filings frequently cite CAS 13195-66-9 as compliant with EPA and OECD guidelines for chemical safety.

In conclusion, 3-Oxodecanoic Acid Ethyl Ester exemplifies the intersection of functionality and sustainability in modern chemistry. Its multifaceted applications—from perfumery to advanced material science—demonstrate how niche chemicals can address broad industrial challenges while meeting evolving consumer and regulatory expectations.

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