Cas no 5467-99-2 (Benzyl 4-methylbenzoate)

Benzyl 4-methylbenzoate is an ester compound derived from the reaction of 4-methylbenzoic acid and benzyl alcohol. It is commonly utilized as an intermediate in organic synthesis and as a fragrance ingredient due to its mild, balsamic odor. The compound exhibits stability under standard conditions, making it suitable for use in various chemical formulations. Its aromatic properties also lend it to applications in perfumery and flavoring. The presence of both benzyl and 4-methylbenzoyl groups contributes to its solubility in organic solvents, facilitating its incorporation into reaction schemes. This compound is valued for its consistent purity and reliable performance in synthetic processes.
Benzyl 4-methylbenzoate structure
Benzyl 4-methylbenzoate structure
Product Name:Benzyl 4-methylbenzoate
CAS No:5467-99-2
MF:C15H14O2
MW:226.270464420319
MDL:MFCD04347391
CID:942519
PubChem ID:230518
Update Time:2025-11-02

Benzyl 4-methylbenzoate Chemical and Physical Properties

Names and Identifiers

    • Benzyl 4-methylbenzoate
    • (4-Me)C6H4CO2CH2C6H5
    • 4-MeC6H4CO2Bn
    • 4-methylbenzoic acid benzyl ester
    • 4-methyl-benzoic acid benzyl ester
    • AC1L5JP8
    • AC1Q6618
    • AR-1H9562
    • benzenemethyl 4-methylbenzoate
    • Benzyl p-toluate
    • benzyl-4-methylbenzoate
    • CTK1H2659
    • p-Toluic acid, benzyl ester
    • SureCN6057219
    • Benzyl 4-toluate
    • NSC 25467
    • Benzoic acid, 4-methyl-, phenylmethyl ester
    • Benzyl 4-methylbenzoate #
    • LNXGEZSXCGDUSD-UHFFFAOYSA-N
    • NSC25467
    • AM83217
    • AK155074
    • ST24046118
    • AKOS003442383
    • NSC-25467
    • SCHEMBL6057219
    • 5467-99-2
    • DTXSID90282338
    • SCHEMBL9409652
    • 1711-35-9
    • MFCD04347391
    • CS-0153079
    • DS-8198
    • Benzyl4-methylbenzoate
    • A11094
    • MDL: MFCD04347391
    • Inchi: 1S/C15H14O2/c1-12-7-9-14(10-8-12)15(16)17-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
    • InChI Key: LNXGEZSXCGDUSD-UHFFFAOYSA-N
    • SMILES: O(C(C1C=CC(C)=CC=1)=O)CC1C=CC=CC=1

Computed Properties

  • Exact Mass: 226.09942
  • Monoisotopic Mass: 226.099379685g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 235
  • 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: 4.3
  • Topological Polar Surface Area: 26.3

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.107±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 45-47 oC
  • Boiling Point: 344.2±11.0 °C at 760 mmHg
  • Flash Point: 154.4±4.0 °C
  • Refractive Index: 1.573
  • Solubility: Almost insoluble (0.038 g/l) (25 o C),
  • PSA: 26.3
  • LogP: 3.35200
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

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Benzyl 4-methylbenzoate Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:5467-99-2)Benzyl 4-methylbenzoate
Order Number:A870383
Stock Status:in Stock
Quantity:25g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 09:23
Price ($):162.0

Additional information on Benzyl 4-methylbenzoate

Benzyl 4-methylbenzoate (CAS No. 5467-99-2): Properties, Applications, and Industry Insights

Benzyl 4-methylbenzoate (CAS No. 5467-99-2), also known as benzyl p-toluate, is an organic ester compound widely used in fragrance formulations and specialty chemical applications. This aromatic ester combines the benzoic acid derivative with a benzyl alcohol component, creating unique chemical properties that make it valuable across multiple industries.

The molecular structure of Benzyl 4-methylbenzoate features a methyl group at the para position of the benzene ring, which significantly influences its physical and chemical characteristics. With a molecular formula of C15H14O2 and molecular weight of 226.27 g/mol, this compound typically appears as a colorless to pale yellow liquid with a mild, pleasant odor reminiscent of balsamic notes.

In the fragrance industry, Benzyl 4-methylbenzoate serves as a versatile fixative agent and aroma chemical. Its excellent stability and compatibility with various fragrance ingredients make it particularly valuable for creating long-lasting perfumes, soaps, and cosmetic products. Recent trends in clean beauty formulations and sustainable fragrance development have increased interest in this compound as manufacturers seek alternatives to synthetic musks.

The compound's solubility profile makes it suitable for diverse applications. It is soluble in most organic solvents including ethanol, diethyl ether, and chloroform, but shows limited solubility in water. This property is particularly valuable when developing microencapsulation systems for controlled fragrance release - a technology gaining popularity in textile finishing and home care products.

From a synthesis perspective, Benzyl 4-methylbenzoate is typically produced through esterification reactions between 4-methylbenzoic acid and benzyl alcohol. Modern production methods emphasize green chemistry principles, with many manufacturers adopting enzyme-catalyzed processes or microwave-assisted synthesis to improve efficiency and reduce environmental impact.

The global market for Benzyl 4-methylbenzoate has shown steady growth, particularly in the Asia-Pacific region where fragrance and personal care industries are expanding rapidly. Industry analysts attribute this growth to increasing demand for luxury fragrances and premium personal care products in emerging economies. The compound's regulatory status as generally recognized as safe (GRAS) for fragrance applications further supports its market potential.

Recent advancements in analytical chemistry have improved quality control measures for Benzyl 4-methylbenzoate production. Techniques like GC-MS analysis and HPLC purity testing now enable manufacturers to achieve purity levels exceeding 99%, meeting the stringent requirements of pharmaceutical-grade applications where the compound serves as an intermediate.

In material science applications, researchers are exploring the potential of Benzyl 4-methylbenzoate as a plasticizer for specialty polymers. Its compatibility with certain biodegradable plastics makes it particularly interesting for eco-friendly packaging solutions - a hot topic in the circular economy discussions.

The storage and handling of Benzyl 4-methylbenzoate require standard chemical safety precautions. While not classified as hazardous under normal conditions, it should be stored in airtight containers away from strong oxidizers and heat sources to maintain stability. Proper ventilation systems are recommended when handling large quantities in industrial settings.

Looking toward future applications, Benzyl 4-methylbenzoate is being investigated for potential use in advanced drug delivery systems due to its favorable partition coefficient and biocompatibility. These developments align with growing interest in excipient innovation within the pharmaceutical industry.

For researchers and industry professionals seeking technical specifications, Benzyl 4-methylbenzoate typically exhibits a boiling point of approximately 320°C (608°F) and a refractive index of 1.555-1.560 at 20°C. Its flash point exceeds 100°C (212°F), classifying it as a combustible rather than flammable material under standard conditions.

The supply chain for Benzyl 4-methylbenzoate remains robust, with major producers located in Europe, North America, and Asia. Recent developments in blockchain technology for chemical tracking are being implemented by leading suppliers to ensure supply chain transparency and quality assurance - addressing growing concerns about ingredient provenance in consumer products.

Environmental considerations for Benzyl 4-methylbenzoate indicate favorable biodegradation characteristics under aerobic conditions. Studies show approximately 70-80% degradation within 28 days in standard OECD 301 tests, making it suitable for formulations targeting eco-conscious consumers.

In conclusion, Benzyl 4-methylbenzoate (CAS No. 5467-99-2) represents a versatile chemical with growing importance across multiple industries. Its unique combination of aromatic properties, chemical stability, and regulatory acceptance positions it as a valuable ingredient in fragrance, personal care, and specialty chemical applications. As research continues to uncover new potential uses, this compound will likely maintain its relevance in an evolving chemical landscape focused on sustainability and innovation.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:5467-99-2)Benzyl 4-methylbenzoate
A870383
Purity:99%
Quantity:25g
Price ($):162.0
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