Cas no 3056-59-5 (Acetic Acid 2-Ethylphenyl Ester)

Acetic Acid 2-Ethylphenyl Ester is an organic ester compound characterized by its aromatic and acetic acid functional groups. This chemical is primarily utilized in specialty organic synthesis, fragrance formulation, and as an intermediate in pharmaceutical and agrochemical applications. Its structure, combining an ethyl-substituted phenyl group with an acetate moiety, imparts unique reactivity and solubility properties, making it suitable for selective esterification and transesterification reactions. The compound exhibits moderate volatility and stability under standard conditions, facilitating controlled handling in industrial processes. Its compatibility with polar and non-polar solvents enhances its versatility in formulation chemistry. Proper storage in airtight containers is recommended to maintain purity and prevent hydrolysis.
Acetic Acid 2-Ethylphenyl Ester structure
3056-59-5 structure
Product Name:Acetic Acid 2-Ethylphenyl Ester
CAS No:3056-59-5
MF:C10H12O2
MW:164.201083183289
MDL:MFCD02093429
CID:294555
PubChem ID:87562995
Update Time:2025-06-12

Acetic Acid 2-Ethylphenyl Ester Chemical and Physical Properties

Names and Identifiers

    • 2-Ethylphenyl acetate
    • (2-ethylphenyl) acetate
    • Phenol, 2-ethyl-,1-acetate
    • 2-Aethyl-phenylacetat
    • 2-Et-C6H4OAc
    • acetate d'ethyl-2 phenyl
    • ethylphenyl acetate
    • o-Ethyl-O-acetylphenol
    • Acetic Acid 2-Ethylphenyl Ester
    • SCHEMBL68677
    • DTXSID40875991
    • D88449
    • Ethanoic acid, 2-ethylphenyl ester
    • FT-0634623
    • Phenol, 2-ethyl-, 1-acetate
    • CS-0450760
    • VERVERDPMMBDSS-UHFFFAOYSA-N
    • A820438
    • MFCD02093429
    • 2-Ethylphenol, O-acetyl-
    • AS-59107
    • AKOS016846153
    • 3056-59-5
    • A1549
    • DB-253695
    • MDL: MFCD02093429
    • Inchi: 1S/C10H12O2/c1-3-9-6-4-5-7-10(9)12-8(2)11/h4-7H,3H2,1-2H3
    • InChI Key: VERVERDPMMBDSS-UHFFFAOYSA-N
    • SMILES: O(C(C)=O)C1C=CC=CC=1CC

Computed Properties

  • Exact Mass: 164.08400
  • Monoisotopic Mass: 164.083729621g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 154
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • Color/Form: Not available
  • Density: 1.03
  • Refractive Index: 1.4950-1.4990
  • PSA: 26.30000
  • LogP: 2.17430
  • Solubility: Not available

Acetic Acid 2-Ethylphenyl Ester Security Information

Acetic Acid 2-Ethylphenyl Ester 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%

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Acetic Acid 2-Ethylphenyl Ester Related Literature

Additional information on Acetic Acid 2-Ethylphenyl Ester

Acetic Acid 2-Ethylphenyl Ester (CAS No. 3056-59-5)

Acetic Acid 2-Ethylphenyl Ester (CAS No. 3056-59-5) is a versatile organic compound that finds extensive applications in various fields, including pharmaceuticals, fragrances, and chemical synthesis. This ester is characterized by its unique chemical structure, which consists of an acetic acid moiety and a 2-ethylphenyl group. The compound's molecular formula is C10H12O2, and it has a molecular weight of approximately 164.20 g/mol.

The synthesis of Acetic Acid 2-Ethylphenyl Ester can be achieved through several methods, including the esterification of acetic acid with 2-ethylphenol or the transesterification of ethyl acetate with 2-ethylphenol. These processes are well-documented in the literature and have been optimized for industrial-scale production. The compound's stability and ease of synthesis make it a valuable intermediate in the chemical industry.

In the pharmaceutical sector, Acetic Acid 2-Ethylphenyl Ester has gained attention for its potential as a prodrug or a precursor in the synthesis of more complex molecules. Recent studies have explored its use in drug delivery systems, where it can be designed to release active pharmaceutical ingredients (APIs) under specific conditions. This property is particularly useful in developing targeted therapies and improving drug bioavailability.

The fragrance industry also benefits from the unique olfactory properties of Acetic Acid 2-Ethylphenyl Ester. Its pleasant aroma and good solubility in various solvents make it a popular choice for perfumes, cosmetics, and personal care products. Research has shown that the compound can enhance the overall scent profile of fragrances by providing a subtle yet distinct note that complements other aromatic compounds.

In addition to its applications in pharmaceuticals and fragrances, Acetic Acid 2-Ethylphenyl Ester is used as a building block in organic synthesis. Its reactivity and functional groups allow chemists to create a wide range of derivatives with diverse properties. For instance, it can be converted into other esters, alcohols, or acids through various chemical transformations. These derivatives find applications in materials science, polymer chemistry, and other advanced fields.

The environmental impact of Acetic Acid 2-Ethylphenyl Ester has been a subject of recent research. Studies have shown that the compound is biodegradable under certain conditions, making it a more environmentally friendly option compared to some other organic solvents. However, proper disposal and handling practices are still essential to minimize any potential risks to ecosystems.

Safety considerations are crucial when working with Acetic Acid 2-Ethylphenyl Ester. While it is generally considered safe for industrial use, appropriate personal protective equipment (PPE) should be worn to prevent skin contact and inhalation. The compound has a low toxicity profile but can cause irritation if mishandled. Adhering to standard safety protocols ensures that workers remain protected during handling and processing.

In conclusion, Acetic Acid 2-Ethylphenyl Ester (CAS No. 3056-59-5) is a multifaceted compound with significant applications in pharmaceuticals, fragrances, and chemical synthesis. Its unique chemical properties and versatility make it an essential component in various industries. Ongoing research continues to uncover new uses and optimizations for this compound, further solidifying its importance in modern chemistry.

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