Cas no 890098-40-5 (2-Acetoxy-4'-t-butylbenzophenone)

2-Acetoxy-4'-t-butylbenzophenone is a specialized organic compound primarily used as a photoinitiator in UV-curable coatings, inks, and adhesives. Its key advantage lies in its efficient absorption of UV light, enabling rapid polymerization and high curing performance. The presence of the t-butyl group enhances solubility in organic matrices, while the acetoxy moiety contributes to improved reactivity and stability under processing conditions. This compound is particularly valued for its ability to deliver consistent curing results with minimal yellowing, making it suitable for applications requiring clarity and durability. Its balanced reactivity profile ensures compatibility with a range of formulations, supporting efficient industrial-scale UV curing processes.
2-Acetoxy-4'-t-butylbenzophenone structure
890098-40-5 structure
Product Name:2-Acetoxy-4'-t-butylbenzophenone
CAS No:890098-40-5
MF:C19H20O3
MW:296.360305786133
MDL:MFCD07698826
CID:874883
PubChem ID:24722885
Update Time:2025-06-15

2-Acetoxy-4'-t-butylbenzophenone Chemical and Physical Properties

Names and Identifiers

    • [2-(4-tert-butylbenzoyl)phenyl] acetate
    • 2-ACETOXY-4'-T-BUTYLBENZOPHENONE
    • 2-ACETOXY-4'-TERT-BUTYLBENZOPHENONE
    • DTXSID00641578
    • 2-(4-tert-Butylbenzoyl)phenyl acetate
    • MFCD07698826
    • AKOS016018295
    • 890098-40-5
    • 2-Acetoxy-4'-t-butylbenzophenone
    • MDL: MFCD07698826
    • Inchi: 1S/C19H20O3/c1-13(20)22-17-8-6-5-7-16(17)18(21)14-9-11-15(12-10-14)19(2,3)4/h5-12H,1-4H3
    • InChI Key: XHWTUMZIEUKXES-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC=CC=1OC(C)=O)C1C=CC(=CC=1)C(C)(C)C

Computed Properties

  • Exact Mass: 296.14100
  • Monoisotopic Mass: 296.14124450g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 5
  • Complexity: 399
  • 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: 4.7
  • Topological Polar Surface Area: 43.4?2

Experimental Properties

  • Density: 1.09
  • Boiling Point: 437.3°C at 760 mmHg
  • Flash Point: 191.8°C
  • Refractive Index: 1.543
  • PSA: 43.37000
  • LogP: 4.14040

2-Acetoxy-4'-t-butylbenzophenone 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-Acetoxy-4'-t-butylbenzophenone Pricemore >>

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abcr
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Additional information on 2-Acetoxy-4'-t-butylbenzophenone

Professional Introduction to 2-Acetoxy-4'-t-butylbenzophenone (CAS No. 890098-40-5)

2-Acetoxy-4'-t-butylbenzophenone, identified by its Chemical Abstracts Service (CAS) number 890098-40-5, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical chemistry and materials science. This compound, characterized by its benzophenone core structure modified with an acetoxy group at the 2-position and a t-butyl group at the 4'-position, exhibits unique chemical properties that make it valuable in various applications.

The molecular structure of 2-Acetoxy-4'-t-butylbenzophenone contributes to its versatility, particularly in the synthesis of advanced materials and pharmaceutical intermediates. The presence of the acetoxy group enhances its reactivity in esterification and condensation reactions, while the bulky t-butyl group provides steric hindrance, influencing its electronic and photophysical properties. These characteristics make it a compound of interest for researchers exploring novel synthetic pathways and functional materials.

In recent years, 2-Acetoxy-4'-t-butylbenzophenone has been studied for its potential applications in photodynamic therapy (PDT) and as an intermediate in the synthesis of photoactive compounds. Its ability to absorb light in the UV-visible spectrum and generate reactive oxygen species has been exploited in medical research aimed at developing more effective PDT agents. The compound’s stability under various conditions further enhances its suitability for such therapeutic applications.

Moreover, the benzophenone derivative family, including 2-Acetoxy-4'-t-butylbenzophenone, has shown promise in the development of organic electronics. Researchers have utilized derivatives of benzophenone for their role as photoinitiators in polymerization processes, due to their efficient absorption of UV light and ability to generate free radicals. The specific modifications in 2-Acetoxy-4'-t-butylbenzophenone fine-tune its photophysical properties, making it an attractive candidate for advanced materials such as organic light-emitting diodes (OLEDs) and photovoltaic cells.

The synthesis of 2-Acetoxy-4'-t-butylbenzophenone typically involves multi-step organic reactions, often starting from commercially available benzophenone precursors. The introduction of the acetoxy group is commonly achieved through esterification or oxidation processes, while the t-butyl group is typically added via Friedel-Crafts alkylation or similar electrophilic aromatic substitution reactions. The choice of synthetic route depends on factors such as yield, purity, and scalability, which are critical for industrial applications.

Recent advancements in green chemistry have also influenced the synthesis of 2-Acetoxy-4'-t-butylbenzophenone. Researchers are increasingly focusing on environmentally friendly methodologies that minimize waste and reduce energy consumption. For instance, catalytic processes using transition metals or organocatalysts have been explored to improve reaction efficiency and selectivity. These innovations not only enhance the sustainability of producing 2-Acetoxy-4'-t-butylbenzophenone but also contribute to the broader goal of sustainable pharmaceutical manufacturing.

The pharmacological potential of 2-Acetoxy-4'-t-butylbenzophenone extends beyond PDT applications. Studies have suggested that modifications to the benzophenone scaffold can influence biological activity, making derivatives attractive for drug discovery. While 2-Acetoxy-4'-t-butylbenzophenone itself may not be directly used as a therapeutic agent, its structural motifs have inspired the development of novel compounds with potential antimicrobial, anti-inflammatory, or anticancer properties. The compound’s role as a key intermediate in synthesizing these derivatives underscores its importance in medicinal chemistry research.

In conclusion, 2-Acetoxy-4'-t-butylbenzophenone (CAS No. 890098-40-5) is a multifaceted compound with significant applications in both materials science and pharmaceutical chemistry. Its unique structural features enable diverse functionalities, from serving as a photoinitiator in polymerization to acting as a precursor for photoactive and pharmacologically relevant compounds. As research continues to uncover new applications and synthetic methodologies for this derivative, its importance is likely to grow further within the scientific community.

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