Cas no 890098-58-5 (2-Acetoxy-4'-pentyloxybenzophenone)

2-Acetoxy-4'-pentyloxybenzophenone is a benzophenone derivative characterized by its acetoxy and pentyloxy functional groups. This compound is primarily utilized in organic synthesis and photochemical applications due to its ability to act as a photosensitizer or UV absorber. Its molecular structure, featuring both electron-donating (pentyloxy) and electron-withdrawing (acetoxy) substituents, enhances its reactivity in light-mediated processes. The compound exhibits stability under controlled conditions, making it suitable for research and industrial applications requiring precise photochemical control. Its solubility in common organic solvents further facilitates its use in synthetic workflows. Potential applications include polymer stabilization, specialty chemical synthesis, and advanced material development.
2-Acetoxy-4'-pentyloxybenzophenone structure
890098-58-5 structure
Product Name:2-Acetoxy-4'-pentyloxybenzophenone
CAS No:890098-58-5
MF:C20H22O4
MW:326.386286258698
CID:993528
PubChem ID:24722895
Update Time:2025-10-28

2-Acetoxy-4'-pentyloxybenzophenone Chemical and Physical Properties

Names and Identifiers

    • [2-(4-pentoxybenzoyl)phenyl] acetate
    • 2-ACETOXY-4'-PENTYLOXYBENZOPHENONE
    • 890098-58-5
    • DTXSID50641588
    • AKOS016018157
    • MFCD07698836
    • 2-[4-(PENTYLOXY)BENZOYL]PHENYL ACETATE
    • 2-Acetoxy-4'-pentyloxybenzophenone
    • MDL: MFCD07698836
    • Inchi: 1S/C20H22O4/c1-3-4-7-14-23-17-12-10-16(11-13-17)20(22)18-8-5-6-9-19(18)24-15(2)21/h5-6,8-13H,3-4,7,14H2,1-2H3
    • InChI Key: VMXPJZZJCDKLGE-UHFFFAOYSA-N
    • SMILES: O(C1C=CC(C(C2C=CC=CC=2OC(C)=O)=O)=CC=1)CCCCC

Computed Properties

  • Exact Mass: 326.15200
  • Monoisotopic Mass: 326.15180918g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 9
  • Complexity: 398
  • 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: 4.8
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • PSA: 52.60000
  • LogP: 4.41190

2-Acetoxy-4'-pentyloxybenzophenone 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'-pentyloxybenzophenone Pricemore >>

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Additional information on 2-Acetoxy-4'-pentyloxybenzophenone

2-Acetoxy-4'-Pentyloxybenzophenone: A Comprehensive Overview

2-Acetoxy-4'-Pentyloxybenzophenone (CAS No. 890098-58-5) is a highly specialized organic compound that has garnered significant attention in the fields of materials science, pharmaceuticals, and advanced chemical synthesis. This compound, characterized by its unique molecular structure, has been the subject of extensive research due to its versatile applications and potential in various industrial and academic domains.

The molecular structure of 2-Acetoxy-4'-Pentyloxybenzophenone is defined by its benzophenone backbone, which serves as a platform for functionalization. The presence of an acetoxy group at the 2-position and a pentyloxy group at the 4' position introduces significant electronic and steric effects, making this compound highly reactive under specific conditions. Recent studies have highlighted its role as a precursor in the synthesis of advanced materials, such as high-performance polymers and optoelectronic devices.

One of the most notable applications of 2-Acetoxy-4'-Pentyloxybenzophenone is in the field of polymer chemistry. Researchers have demonstrated that this compound can be used as a building block for the synthesis of polymeric materials with tailored properties. For instance, its ability to undergo controlled polymerization under UV light has been exploited to create stimuli-responsive polymers, which find applications in drug delivery systems and smart materials.

In addition to its role in polymer synthesis, 2-Acetoxy-4'-Pentyloxybenzophenone has also been investigated for its potential in photovoltaic applications. Recent studies have shown that this compound can act as an electron transport layer in organic solar cells, significantly improving their efficiency and stability. The unique electronic properties of this compound make it an ideal candidate for enhancing charge separation and recombination processes in photovoltaic devices.

The synthesis of 2-Acetoxy-4'-Pentyloxybenzophenone involves a multi-step process that requires precise control over reaction conditions. Researchers have developed efficient synthetic routes that minimize side reactions and maximize yield. For example, a recent study reported the use of a palladium-catalyzed coupling reaction to construct the benzophenone backbone, followed by selective acetylation and pentylation steps to introduce the functional groups.

Despite its numerous advantages, the use of 2-Acetoxy-4'-Pentyloxybenzophenone is not without challenges. One major concern is its stability under certain environmental conditions, which can affect its performance in practical applications. To address this issue, ongoing research is focused on modifying the molecular structure to enhance stability while retaining its desirable properties.

In conclusion, 2-Acetoxy-4'-Pentyloxybenzophenone (CAS No. 890098-58-5) is a versatile compound with a wide range of applications in modern chemistry and materials science. Its unique molecular structure and functional groups make it an invaluable tool for researchers seeking to develop advanced materials with tailored properties. As ongoing studies continue to uncover new applications and optimize its synthesis, this compound is poised to play an increasingly important role in both academic research and industrial innovation.

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