Cas no 1522-30-1 (Ethyl 2-acetyl-5-methylhexanoate)

Ethyl 2-acetyl-5-methylhexanoate is a synthetic ester compound characterized by its fruity, tropical aroma, making it valuable in flavor and fragrance applications. Its molecular structure combines acetyl and methylhexanoate functionalities, contributing to its stability and versatility in formulations. The compound exhibits good solubility in organic solvents, facilitating its use in perfumery and food flavoring. Its controlled release profile enhances longevity in end products. Ethyl 2-acetyl-5-methylhexanoate is synthesized under stringent conditions to ensure high purity and consistent performance. Its compatibility with other aroma chemicals allows for tailored scent profiles, meeting industry standards for quality and safety.
Ethyl 2-acetyl-5-methylhexanoate structure
1522-30-1 structure
Product Name:Ethyl 2-acetyl-5-methylhexanoate
CAS No:1522-30-1
MF:C11H20O3
MW:200.274703979492
MDL:MFCD20133661
CID:216302
PubChem ID:300040
Update Time:2025-05-21

Ethyl 2-acetyl-5-methylhexanoate Chemical and Physical Properties

Names and Identifiers

    • Hexanoic acid,2-acetyl-5-methyl-, ethyl ester
    • 2-Acetyl-5-methylhexanoic acid ethyl ester
    • ethyl 2-acetyl-5-methylhexanoate
    • 2-acetyl-5-methyl-hexanoic acid,ethyl ester
    • 2-Isopentyl-acetessigsaeure-aethylester
    • 2-isopentyl-acetoacetic acid ethyl ester
    • AC1L6VFE
    • NSC174099
    • Hexanoic acid, 2-acetyl-5-methyl-, ethyl ester
    • MFCD20133661
    • PISGMHLBJJGKRM-UHFFFAOYSA-N
    • AKOS005266781
    • LS-06678
    • CS-0116766
    • 1522-30-1
    • E80368
    • ethyl2-acetyl-5-methylhexanoate
    • DTXSID50306105
    • NSC-174099
    • Hexanoic acid,2-acetyl-5-methyl-,ethyl ester
    • FT-0761493
    • SCHEMBL4142966
    • DA-44143
    • ALBB-021837
    • Ethyl 2-acetyl-5-methylhexanoate
    • MDL： MFCD20133661
    • Inchi： 1S/C11H20O3/c1-5-14-11(13)10(9(4)12)7-6-8(2)3/h8,10H,5-7H2,1-4H3
    • InChI Key： PISGMHLBJJGKRM-UHFFFAOYSA-N
    • SMILES： O(CC)C(C(C(C)=O)CCC(C)C)=O

Computed Properties

  • Exact Mass: 200.1413
  • Monoisotopic Mass: 200.141
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 7
  • Complexity: 197
  • 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: 2.6
  • Topological Polar Surface Area: 43.4?2

Experimental Properties

  • Density: 0.947g/cm3
  • Boiling Point: 235.1oC at 760 mmHg
  • Flash Point: 92.5oC
  • Refractive Index: 1.43
  • PSA: 43.37
  • LogP: 2.19090

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Ethyl 2-acetyl-5-methylhexanoate Suppliers

Amadis Chemical Company Limited
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(CAS:1522-30-1)Ethyl 2-acetyl-5-methylhexanoate
Order Number:A1135734
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Thursday, 29 August 2024 22:40
Price ($):168.0

Ethyl 2-acetyl-5-methylhexanoate Related Literature

Additional information on Ethyl 2-acetyl-5-methylhexanoate

Ethyl 2-acetyl-5-methylhexanoate (CAS No. 1522-30-1): A Comprehensive Overview

Ethyl 2-acetyl-5-methylhexanoate (CAS No. 1522-30-1) is a significant compound in the realm of organic chemistry and has garnered considerable attention due to its versatile applications. This ester, characterized by its distinct molecular structure, finds utility in various industrial and research settings. The compound's unique chemical properties make it a valuable intermediate in the synthesis of more complex molecules, particularly in the pharmaceutical and fragrance industries.

The molecular formula of Ethyl 2-acetyl-5-methylhexanoate is C10H18O3, reflecting its acyclic structure with an ester functional group. This configuration imparts specific reactivity patterns, making it a cornerstone in organic synthesis. The presence of both an acetyl group and a methyl substituent on the hexanoate backbone enhances its reactivity, enabling diverse chemical transformations.

In recent years, research has highlighted the role of ethyl 2-acetyl-5-methylhexanoate in the development of novel synthetic pathways. Its incorporation into multi-step syntheses has led to the creation of bioactive molecules with potential therapeutic applications. For instance, studies have demonstrated its utility in constructing complex lactones and other heterocyclic compounds, which are prevalent in many pharmacologically active agents.

The compound's olfactory properties have also been extensively explored. Ethyl 2-acetyl-5-methylhexanoate contributes to a fruity aroma profile, making it a valuable component in perfumery and flavoring agents. Its use in these applications is not only due to its pleasant scent but also its stability under various conditions, ensuring consistent quality in final products.

Advances in computational chemistry have further elucidated the reactivity patterns of ethyl 2-acetyl-5-methylhexanoate. Molecular modeling studies have provided insights into its interaction with catalysts and other reagents, enabling more efficient synthetic strategies. These computational approaches have been instrumental in optimizing reaction conditions, reducing waste, and improving yields.

The pharmaceutical industry has shown particular interest in ethyl 2-acetyl-5-methylhexanoate as a building block for drug candidates. Its structural features allow for modifications that can enhance bioavailability and target specificity. Researchers are exploring its potential in developing treatments for neurological disorders, where precise molecular interactions are crucial.

In addition to its synthetic utility, ethyl 2-acetyl-5-methylhexanoate plays a role in material science. Its incorporation into polymer formulations can improve material properties such as flexibility and thermal stability. These attributes make it a promising candidate for advanced materials used in electronics and coatings.

The environmental impact of using ethyl 2-acetyl-5-methylhexanoate has also been a subject of investigation. Efforts are underway to develop greener synthetic routes that minimize hazardous byproducts. Biocatalytic methods, for instance, offer a sustainable alternative by leveraging enzymes to facilitate key transformations.

The future prospects of ethyl 2-acetyl-5-methylhexanoate are promising, with ongoing research uncovering new applications and refining existing ones. As the demand for specialized chemicals grows, this compound is poised to remain a key player in both industrial and academic settings.

1522-30-1 (Ethyl 2-acetyl-5-methylhexanoate) Related Products

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Amadis Chemical Company Limited
(CAS:1522-30-1)Ethyl 2-acetyl-5-methylhexanoate
A1135734
Purity:99%
Quantity:1g
Price ($):168.0
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