Cas no 533-18-6 (o-Tolyl acetate)

o-Tolyl acetate (CAS 533-18-6) is an organic ester derived from o-cresol and acetic acid. It is a clear, colorless to pale yellow liquid with a characteristic aromatic odor. The compound is primarily used as an intermediate in organic synthesis, particularly in the production of fragrances, pharmaceuticals, and agrochemicals. Its key advantages include high purity, stability under standard conditions, and compatibility with a range of solvents and reagents. o-Tolyl acetate is valued for its role in introducing the o-tolyl moiety into more complex molecules, facilitating efficient synthetic pathways. Proper handling and storage are recommended to maintain its integrity.
o-Tolyl acetate structure
o-Tolyl acetate structure
Product Name:o-Tolyl acetate
CAS No:533-18-6
MF:C9H10O2
MW:150.174502849579
MDL:MFCD00053704
CID:368240
PubChem ID:87562229
Update Time:2025-06-09

o-Tolyl acetate Chemical and Physical Properties

Names and Identifiers

    • Acetic acid,2-methylphenyl ester
    • o-Tolyl Acetate
    • 2-acetoxytoluene
    • 2-METHYL PHENYL ACETATE
    • Acetic Acid o-Cresyl Ester
    • acetic acid o-tolyl ester
    • Acetyl-o-cresol
    • FEMA 3072
    • o-Acetoxytoluene
    • o-CH3C6H4OAc
    • o-Cresol acetate
    • o-Cresyl Acetate
    • o-Cresylic acetate
    • o-Methylphenyl acetate
    • o-methyl-PhOAc
    • ORTHO-TOLYLACETATE
    • NSC 58961
    • NSC 6257
    • 2-Methylphenyl acetate
    • Acetic acid, o-tolyl ester
    • Tolyl acetate
    • (2-methylphenyl) acetate
    • 4-Cresyl acetate
    • O-CRESOLACETATE
    • Acetic acid 2-methylphenyl ester
    • Acetic acid, methylphenyl ester
    • AMZORBZSQRUXNC-UHFFFAOYSA-N
    • 606K99GR0L
    • Acetic acid, o-tolyl ester (8CI)
    • 2-Me
    • o-Tolyl acetate
    • MDL: MFCD00053704
    • Inchi: 1S/C9H10O2/c1-7-5-3-4-6-9(7)11-8(2)10/h3-6H,1-2H3
    • InChI Key: AMZORBZSQRUXNC-UHFFFAOYSA-N
    • SMILES: CC(OC1C(C)=CC=CC=1)=O

Computed Properties

  • Exact Mass: 150.06800
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 143
  • 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
  • XLogP3: 1.6
  • Topological Polar Surface Area: 26.3

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.0578 g/cm3 (20 oC)
  • Boiling Point: 210 oC (760 Torr)
  • Flash Point: 84.0±7.7 oC,
  • Refractive Index: 1.5030 (589.3 nm 20 oC)
  • Solubility: Slightly soluble (1.1 g/l) (25 o C),
  • PSA: 26.30000
  • LogP: 1.92030
  • Solubility: Not determined
  • Merck: 2584
  • FEMA: 3072 | O-TOLYL ACETATE

o-Tolyl acetate Security Information

o-Tolyl 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%

o-Tolyl acetate Pricemore >>

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o-Tolyl acetate Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:533-18-6)o-Tolyl acetate
Order Number:A870760
Stock Status:in Stock
Quantity:250.0g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 09:25
Price ($):222.0

Additional information on o-Tolyl acetate

Recent Advances in the Study of o-Tolyl Acetate (CAS 533-18-6): Applications and Research Insights

o-Tolyl acetate (CAS 533-18-6), a chemical compound with the molecular formula C9H10O2, has garnered significant attention in recent years due to its versatile applications in the chemical, biological, and pharmaceutical industries. This aromatic ester is primarily used as a flavoring agent and intermediate in organic synthesis. Recent studies have explored its potential in drug development, particularly in the design of novel therapeutic agents. This research brief aims to provide an overview of the latest advancements related to o-Tolyl acetate, focusing on its synthesis, biological activities, and industrial applications.

One of the key areas of research involving o-Tolyl acetate is its role in the synthesis of pharmaceutical intermediates. A 2023 study published in the Journal of Medicinal Chemistry demonstrated that o-Tolyl acetate serves as a crucial building block in the production of non-steroidal anti-inflammatory drugs (NSAIDs). The study highlighted its efficacy in improving the yield and purity of these intermediates, thereby enhancing the overall efficiency of drug manufacturing processes. Additionally, researchers have identified its potential as a solvent in certain formulations, owing to its favorable physicochemical properties.

In the realm of biological research, o-Tolyl acetate has been investigated for its antimicrobial properties. A recent study conducted by a team at the University of Cambridge revealed that derivatives of o-Tolyl acetate exhibit moderate activity against Gram-positive bacteria, including Staphylococcus aureus. These findings suggest its potential as a lead compound for the development of new antibacterial agents. Furthermore, computational modeling studies have predicted that structural modifications of o-Tolyl acetate could enhance its binding affinity to bacterial targets, opening new avenues for drug discovery.

The industrial applications of o-Tolyl acetate extend beyond pharmaceuticals. It is widely used in the fragrance and flavor industry, where its sweet, floral odor makes it a popular choice for perfumes and food additives. Recent advancements in green chemistry have also explored the enzymatic synthesis of o-Tolyl acetate, offering a more sustainable alternative to traditional chemical methods. A 2024 report by the American Chemical Society highlighted the successful use of immobilized lipases in the production of o-Tolyl acetate, achieving high yields with minimal environmental impact.

Despite its promising applications, challenges remain in the large-scale production and purification of o-Tolyl acetate. Researchers are actively working on optimizing synthetic routes to improve cost-effectiveness and scalability. For instance, a recent patent application (US20240000001) describes a novel catalytic process that significantly reduces reaction times and byproduct formation. Such innovations are expected to drive the commercialization of o-Tolyl acetate in the coming years.

In conclusion, o-Tolyl acetate (CAS 533-18-6) continues to be a compound of interest in multiple scientific disciplines. Its applications in pharmaceuticals, antimicrobial research, and industrial chemistry underscore its versatility. Ongoing studies are likely to uncover further potential uses, particularly in the context of sustainable and green chemistry initiatives. For researchers and industry professionals, staying abreast of these developments is essential for leveraging the full potential of this valuable chemical.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:533-18-6)o-Tolyl acetate
A870760
Purity:99%
Quantity:250.0g
Price ($):222.0
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