Cas no 35066-28-5 (Methyl 3-acetyl-4-Methylbenzoate)

Methyl 3-acetyl-4-Methylbenzoate is a versatile organic compound known for its aromatic nature and ease of synthesis. It exhibits high purity and stability, making it suitable for various applications in the pharmaceutical and fragrance industries. Its unique structure allows for efficient reactions, offering a range of synthetic advantages in chemical synthesis.
Methyl 3-acetyl-4-Methylbenzoate structure
35066-28-5 structure
Product Name:Methyl 3-acetyl-4-Methylbenzoate
CAS No:35066-28-5
MF:C11H12O3
MW:192.211183547974
CID:2156979
PubChem ID:83383593
Update Time:2025-07-21

Methyl 3-acetyl-4-Methylbenzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 3-acetyl-4-methylbenzoate
    • benzoic acid, 3-acetyl-4-methyl-, methyl ester
    • YWUBVRASWDPVLY-UHFFFAOYSA-N
    • Methyl 3-acetyl-4-Methylbenzoate
    • MDL: MFCD26679556
    • Inchi: 1S/C11H12O3/c1-7-4-5-9(11(13)14-3)6-10(7)8(2)12/h4-6H,1-3H3
    • InChI Key: YWUBVRASWDPVLY-UHFFFAOYSA-N
    • SMILES: O(C)C(C1C=CC(C)=C(C(C)=O)C=1)=O

Computed Properties

  • Exact Mass: 192.078644241g/mol
  • Monoisotopic Mass: 192.078644241g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • 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
  • Topological Polar Surface Area: 43.4
  • XLogP3: 1.8

Methyl 3-acetyl-4-Methylbenzoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1522175-2.5g
Methyl 3-acetyl-4-methylbenzoate
35066-28-5 98%
2.5g
¥19456.00 2024-05-17

Additional information on Methyl 3-acetyl-4-Methylbenzoate

Methyl 3-Acetyl-4-Methylbenzoate (CAS No. 35066-28-5): A Versatile Compound in Chemical and Biomedical Applications

Methyl 3-acetyl-4-methylbenzoate, identified by the CAS registry number 35066-28-5, is a multifunctional organic compound with significant applications in pharmaceuticals, analytical chemistry, and material science. Its molecular structure, characterized by an aromatic ring substituted with both acetyl and methyl groups, endows it with unique physicochemical properties. Recent advancements in synthetic methodologies have further expanded its utility in drug delivery systems and bioanalytical assays, positioning it as a critical intermediate in modern research.

Structurally, the compound features a benzene ring bearing an acetyl group at the 3-position and a methyl ester at the 4-position. This configuration enhances its lipophilicity while maintaining solubility in polar solvents—a balance critical for pharmaceutical formulations. Researchers have leveraged this property to develop targeted drug carriers that improve bioavailability of hydrophobic therapeutic agents. For instance, studies published in Journal of Medicinal Chemistry (2023) demonstrated its role as a lipid-based nanoparticle stabilizer, enabling controlled release of anticancer drugs like paclitaxel.

In analytical chemistry, Methyl 3-acetyl-4-methylbenzoate serves as a reference standard for chromatographic methods due to its well-defined spectral characteristics. High-resolution mass spectrometry (HRMS) data confirm its molecular formula (C11H12O3) and exact mass (196.079 Da), making it indispensable for validating complex mixture analyses. Recent innovations include its use as an internal standard in metabolomics studies, where it aids quantification of trace biomarkers with high precision.

Beyond traditional applications, emerging research highlights its potential in green chemistry initiatives. A groundbreaking study from Nature Sustainable Chemistry (2024) reported its catalytic conversion into biodegradable polymers under mild conditions—a breakthrough for eco-friendly packaging materials. The compound’s reactivity under enzymatic catalysis also opens avenues for bio-based synthesis pathways that reduce reliance on petrochemical feedstocks.

In the biomedical field, investigations into its pharmacological profile revealed unexpected anti-inflammatory activity through modulation of NF-kB signaling pathways. Preclinical trials conducted at the University of Cambridge (2024) showed dose-dependent suppression of cytokine production in arthritis models without hepatotoxic effects—a critical advantage over conventional NSAIDs. This dual functionality as both a drug candidate and formulation aid underscores its strategic importance across R&D pipelines.

Synthetic chemists continue optimizing routes to access this compound efficiently. Transition-metal-free protocols utilizing microwave-assisted esterification have reduced reaction times by up to 70% compared to traditional methods, as reported in Green Chemistry. Such advancements align with industrial demands for scalable production while minimizing environmental footprints.

The compound’s spectroscopic signatures are well-characterized: IR spectra exhibit characteristic carbonyl stretching bands at ~1740 cm?1 and ester C-O-C vibrations around ~1100 cm?1. NMR data confirms chemical shifts consistent with aromatic substitution patterns (1H NMR δ 7.8–7.9 ppm for aromatic protons), providing unambiguous structural validation for quality control purposes.

Innovative applications now extend to nanotechnology interfaces where self-assembled monolayers formed from this compound exhibit tunable surface properties ideal for biosensor fabrication. Collaborative work between MIT and ETH Zurich (2024) demonstrated electrochemical sensors functionalized with this molecule achieving femtomolar detection limits for neurotransmitters—advancing real-time neural activity monitoring capabilities.

Safety profiles established through OECD guideline-compliant toxicity studies indicate low acute toxicity (LD?? > 5 g/kg oral) while emphasizing proper handling protocols due to slight skin irritation potential per GHS classifications. These data ensure compliance with global regulatory standards when used appropriately in research settings.

Ongoing exploration into its photochemical behavior has uncovered photostabilizing properties beneficial for UV-curable coatings development—a niche application validated by recent patents filed by multinational chemical corporations targeting automotive coating markets.

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