Cas no 95416-57-2 (4-(3-methylphenyl)but-3-en-2-one)

4-(3-Methylphenyl)but-3-en-2-one is a synthetic organic compound featuring a conjugated enone structure with a 3-methylphenyl substituent. This α,β-unsaturated ketone is of interest in organic synthesis due to its reactivity as a Michael acceptor and its utility in constructing more complex molecular frameworks. The presence of the methyl group on the phenyl ring influences both electronic and steric properties, making it a versatile intermediate for pharmaceuticals, fragrances, and specialty chemicals. Its well-defined structure ensures consistent performance in reactions such as nucleophilic additions or cyclizations. The compound is typically characterized by high purity, ensuring reproducibility in research and industrial applications.
4-(3-methylphenyl)but-3-en-2-one structure
95416-57-2 structure
Product Name:4-(3-methylphenyl)but-3-en-2-one
CAS No:95416-57-2
MF:C11H12O
MW:160.212383270264
CID:817302
PubChem ID:5462911
Update Time:2025-06-14

4-(3-methylphenyl)but-3-en-2-one Chemical and Physical Properties

Names and Identifiers

    • 3-Buten-2-one,4-(3-methylphenyl)-, (3E)-
    • (E)-4-(3-methylphenyl)but-3-en-2-one
    • 3-METHYLBENZALACETONE
    • 4-(3-methylphenyl)but-3-en-2-one
    • 3-Buten-2-one,4-(3-methylphenyl)-,(3E)-
    • SCHEMBL8948080
    • EN300-1855502
    • (E)-4-(3-Methylphenyl)-but-3-en-2-one
    • CS-0274646
    • 4-(m-Tolyl)but-3-en-2-one
    • 3-Buten-2-one, 4-(3-methylphenyl)-, (E)-
    • AKOS013604733
    • 95416-57-2
    • DTXSID30876371
    • 3-Buten-2-one, 4-(3-methylphenyl)-
    • (e)-4-(m-tolyl)but-3-en-2-one
    • CHEMBL309224
    • 3-Buten-2-one,4-(3-methylphenyl)-
    • 15753-84-1
    • Inchi: 1S/C11H12O/c1-9-4-3-5-11(8-9)7-6-10(2)12/h3-8H,1-2H3/b7-6+
    • InChI Key: MMKNUEPXVVBSGX-VOTSOKGWSA-N
    • SMILES: O=C(C)/C=C/C1C=CC=C(C)C=1

Computed Properties

  • Exact Mass: 160.088815
  • Monoisotopic Mass: 160.088815
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 181
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.4
  • Topological Polar Surface Area: 17.1

Experimental Properties

  • Density: 0.999
  • Boiling Point: 278.6°Cat760mmHg
  • Flash Point: 100.4°C

4-(3-methylphenyl)but-3-en-2-one Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-1855502-0.05g
4-(3-methylphenyl)but-3-en-2-one
95416-57-2
0.05g
$227.0 2023-09-18
Enamine
EN300-1855502-0.1g
4-(3-methylphenyl)but-3-en-2-one
95416-57-2
0.1g
$238.0 2023-09-18
Enamine
EN300-1855502-0.25g
4-(3-methylphenyl)but-3-en-2-one
95416-57-2
0.25g
$249.0 2023-09-18
Enamine
EN300-1855502-0.5g
4-(3-methylphenyl)but-3-en-2-one
95416-57-2
0.5g
$260.0 2023-09-18
Enamine
EN300-1855502-1.0g
4-(3-methylphenyl)but-3-en-2-one
95416-57-2
1g
$1057.0 2023-06-01
Enamine
EN300-1855502-2.5g
4-(3-methylphenyl)but-3-en-2-one
95416-57-2
2.5g
$529.0 2023-09-18
Enamine
EN300-1855502-5.0g
4-(3-methylphenyl)but-3-en-2-one
95416-57-2
5g
$3065.0 2023-06-01
Enamine
EN300-1855502-10.0g
4-(3-methylphenyl)but-3-en-2-one
95416-57-2
10g
$4545.0 2023-06-01
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1345316-50mg
4-(M-tolyl)but-3-en-2-one
95416-57-2 98%
50mg
¥22377.00 2024-04-24
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1345316-100mg
4-(M-tolyl)but-3-en-2-one
95416-57-2 98%
100mg
¥20088.00 2024-04-24

Additional information on 4-(3-methylphenyl)but-3-en-2-one

Comprehensive Introduction to 4-(3-methylphenyl)but-3-en-2-one (CAS No. 95416-57-2)

4-(3-methylphenyl)but-3-en-2-one, with the CAS number 95416-57-2, is an organic compound belonging to the class of aromatic ketones. This compound is widely studied due to its unique chemical properties and potential applications in various industries, including flavor and fragrance, pharmaceutical intermediates, and organic synthesis. Its molecular structure features a 3-methylphenyl group attached to a butenone moiety, which contributes to its reactivity and versatility in chemical reactions.

In recent years, the demand for specialty chemicals like 4-(3-methylphenyl)but-3-en-2-one has surged, driven by advancements in green chemistry and sustainable synthesis. Researchers and manufacturers are increasingly focusing on eco-friendly production methods, aligning with global trends such as the circular economy and carbon footprint reduction. This compound's potential as a building block for more complex molecules makes it a topic of interest in academic and industrial research.

The flavor and fragrance industry has shown particular interest in 4-(3-methylphenyl)but-3-en-2-one due to its aromatic characteristics. Its ketone functional group and unsaturated carbon chain allow it to contribute to the synthesis of novel scent molecules. Consumers' growing preference for natural-like fragrances has further propelled research into derivatives of this compound, addressing the need for sustainable aroma chemicals.

From a pharmaceutical perspective, 4-(3-methylphenyl)but-3-en-2-one serves as a valuable intermediate in drug discovery. Its structure is amenable to modifications, enabling the creation of bioactive compounds with potential therapeutic applications. Recent studies have explored its role in synthesizing anti-inflammatory agents and antioxidant precursors, tapping into the rising demand for nutraceuticals and functional ingredients.

The compound's physical and chemical properties are critical for its applications. With a molecular weight of 160.21 g/mol and a distinct boiling point and melting point, it exhibits stability under various conditions. Its solubility profile in organic solvents makes it suitable for diverse synthetic protocols, while its UV-visible absorption characteristics are relevant for analytical and quality control purposes.

In the context of industrial applications, 4-(3-methylphenyl)but-3-en-2-one is often utilized in fine chemical production. Its role in catalyzed reactions, such as Michael additions and condensation reactions, highlights its importance in organic synthesis. The compound's compatibility with metal catalysts and enzymatic processes aligns with the industry's shift toward catalyst efficiency and waste minimization.

Environmental and regulatory considerations are also paramount when discussing 4-(3-methylphenyl)but-3-en-2-one. Compliance with REACH regulations and other global chemical standards ensures its safe handling and transportation. The compound's biodegradability and ecotoxicity profile are subjects of ongoing research, particularly in light of increasing environmental awareness among consumers and regulators.

For researchers and professionals seeking high-purity 4-(3-methylphenyl)but-3-en-2-one, reliable analytical methods such as HPLC, GC-MS, and NMR spectroscopy are essential for characterization. The compound's spectral data and chromatographic behavior are well-documented, facilitating its identification and quality assessment in various matrices.

In summary, 4-(3-methylphenyl)but-3-en-2-one (CAS No. 95416-57-2) is a multifaceted compound with significant relevance across multiple sectors. Its chemical versatility, combined with growing interest in sustainable chemistry and functional materials, positions it as a key player in modern chemical innovation. As research continues to uncover new applications, this compound is poised to remain at the forefront of specialty chemical development.

Recommended suppliers
Jiangxi Boyang Pharmaceutical Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jiangxi Boyang Pharmaceutical Chemical Co., Ltd
Shanghai Pearlk Chemicals Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Amadis Chemical Company Limited
Beyond Pharmaceutical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
上海嶸奧生物技術(shù)有限公司
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
上海嶸奧生物技術(shù)有限公司