Cas no 890098-89-2 ([2-(3-methylbenzoyl)phenyl] Acetate)

[2-(3-Methylbenzoyl)phenyl] acetate is a synthetic organic compound characterized by its acetylated phenolic structure linked to a 3-methylbenzoyl moiety. This ester derivative exhibits potential utility as an intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, or specialty chemicals. Its molecular structure allows for selective reactivity, making it suitable for further functionalization or coupling reactions. The compound's stability under standard conditions and well-defined purity profile ensure consistent performance in laboratory or industrial applications. Its synthesis typically follows established acylation and esterification protocols, yielding a product with high reproducibility. Researchers value this compound for its versatility in constructing complex molecular architectures.
[2-(3-methylbenzoyl)phenyl] Acetate structure
890098-89-2 structure
Product Name:[2-(3-methylbenzoyl)phenyl] Acetate
CAS No:890098-89-2
MF:C16H14O3
MW:254.280564785004
MDL:MFCD07698801
CID:1936992
PubChem ID:24722861
Update Time:2025-05-23

[2-(3-methylbenzoyl)phenyl] Acetate Chemical and Physical Properties

Names and Identifiers

    • [2-(3-methylbenzoyl)phenyl] acetate
    • 2-ACETOXY-3'-METHYLBENZOPHENONE
    • CTK5G2274
    • AG-H-60414
    • KB-166823
    • 890098-89-2
    • AKOS016018199
    • DTXSID60641554
    • 2-(3-Methylbenzoyl)phenyl acetate
    • MFCD07698801
    • [2-(3-methylbenzoyl)phenyl] Acetate
    • MDL: MFCD07698801
    • Inchi: 1S/C16H14O3/c1-11-6-5-7-13(10-11)16(18)14-8-3-4-9-15(14)19-12(2)17/h3-10H,1-2H3
    • InChI Key: BQIUFPWSMFPDQR-UHFFFAOYSA-N
    • SMILES: O(C(C)=O)C1C=CC=CC=1C(C1=CC=CC(C)=C1)=O

Computed Properties

  • Exact Mass: 254.09400
  • Monoisotopic Mass: 254.094294304Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 337
  • 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
  • XLogP3: 3.4
  • Topological Polar Surface Area: 43.4?2

Experimental Properties

  • Density: 1.148
  • Boiling Point: 417°C at 760 mmHg
  • Flash Point: 185.9°C
  • Refractive Index: 1.565
  • PSA: 43.37000
  • LogP: 3.15130

[2-(3-methylbenzoyl)phenyl] Acetate Customs Data

  • HS CODE:2915390090
  • Customs Data:

    China Customs Code:

    2915390090

    Overview:

    2915390090. Other acetate esters. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods). MFN tariff:5.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Regulatory conditions:

    A.Customs clearance form for Inbound Goods
    B.Customs clearance form for outbound goods

    Inspection and quarantine category:

    R.Sanitary supervision and inspection of imported food
    S.Sanitary supervision and inspection of exported food
    M.Import commodity inspection
    N.Export commodity inspection

    Summary:

    2915390090. esters of acetic acid. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:5.5%. General tariff:30.0%

[2-(3-methylbenzoyl)phenyl] Acetate Pricemore >>

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Additional information on [2-(3-methylbenzoyl)phenyl] Acetate

Introduction to [2-(3-methylbenzoyl)phenyl] Acetate (CAS No. 890098-89-2)

[2-(3-methylbenzoyl)phenyl] Acetate is a specialized organic compound that has garnered significant attention in the field of chemical and pharmaceutical research. This compound, identified by its CAS number 890098-89-2, is a derivative of benzoylacetate and features a unique structural configuration that makes it of particular interest for various applications. The presence of a methyl group at the 3-position of the benzoyl moiety contributes to its distinct chemical properties, which are leveraged in multiple scientific domains.

The molecular structure of [2-(3-methylbenzoyl)phenyl] Acetate consists of a phenyl ring substituted with a 3-methylbenzoyl group, further connected to an acetate moiety. This arrangement imparts specific reactivity and interaction capabilities, making it a valuable intermediate in synthetic chemistry. The compound's ability to participate in various chemical transformations has been explored in the synthesis of more complex molecules, including potential pharmacophores.

In recent years, [2-(3-methylbenzoyl)phenyl] Acetate has been studied for its potential applications in pharmaceutical development. Its structural features suggest that it may exhibit interactions with biological targets, making it a candidate for further investigation as a lead compound or intermediate in drug discovery programs. Researchers have been particularly interested in its potential role in modulating biological pathways, given its similarity to known bioactive molecules.

One of the most compelling aspects of [2-(3-methylbenzoyl)phenyl] Acetate is its versatility in chemical synthesis. The compound can serve as a building block for more intricate molecules, allowing chemists to design and develop novel compounds with tailored properties. This flexibility has made it a subject of interest in both academic and industrial research settings, where the demand for innovative synthetic strategies is ever-present.

The latest research in the field has highlighted the compound's utility in the development of advanced materials and functional chemicals. Its unique structural motifs have been explored in the creation of polymers and coatings that exhibit enhanced mechanical or thermal properties. These applications underscore the broad utility of [2-(3-methylbenzoyl)phenyl] Acetate beyond traditional pharmaceutical contexts.

Furthermore, the compound's reactivity has been harnessed in catalytic processes, where it serves as a ligand or co-catalyst in various organic transformations. Its ability to facilitate reactions under mild conditions has made it an attractive option for green chemistry initiatives, which aim to reduce the environmental impact of chemical synthesis.

The study of [2-(3-methylbenzoyl)phenyl] Acetate also extends into the realm of computational chemistry. Advanced modeling techniques have been employed to predict its behavior and interactions with other molecules. These computational studies provide valuable insights into its potential applications and help guide experimental efforts toward more efficient synthetic routes.

As research continues to evolve, the applications of [2-(3-methylbenzoyl)phenyl] Acetate are expected to expand further. Its unique combination of structural features and chemical reactivity positions it as a key player in multiple scientific disciplines. Whether used as an intermediate in drug development or as a component in advanced materials, this compound offers numerous opportunities for innovation and discovery.

The future prospects for [2-(3-methylbenzoyl)phenyl] Acetate are bright, with ongoing studies exploring its potential roles in emerging fields such as nanotechnology and biomedicine. Its versatility and adaptability ensure that it will remain a relevant and valuable compound for years to come.

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