Cas no 27831-13-6 (4-ethenyl-1,2-dimethylbenzene)

4-Ethenyl-1,2-dimethylbenzene is a substituted aromatic compound featuring an ethenyl group and two methyl groups on a benzene ring. This structure imparts unique reactivity and stability, making it valuable in organic synthesis and polymer chemistry. Its conjugated system allows for participation in electrophilic aromatic substitution and polymerization reactions, serving as a precursor for specialty polymers and fine chemicals. The compound's defined substitution pattern enhances selectivity in synthetic applications, while its moderate volatility facilitates handling in laboratory and industrial settings. Suitable for use as an intermediate in pharmaceuticals, agrochemicals, and advanced materials, it offers a balance of reactivity and processability for tailored chemical transformations.
4-ethenyl-1,2-dimethylbenzene structure
4-ethenyl-1,2-dimethylbenzene structure
Product Name:4-ethenyl-1,2-dimethylbenzene
CAS No:27831-13-6
MF:C10H12
MW:132.202282905579
MDL:MFCD20384548
CID:283482
PubChem ID:33937
Update Time:2025-06-12

4-ethenyl-1,2-dimethylbenzene Chemical and Physical Properties

Names and Identifiers

    • Benzene,4-ethenyl-1,2-dimethyl-
    • 4-ethenyl-1,2-dimethylbenzene
    • 1,2-Dimethyl-4-vinylbenzene
    • 3,4-Dimethylstyrene
    • 4-Vinyl-o-xylene
    • Styrene, 3,4-dimethyl-
    • 3,4-dimethyl-1-ethenylbenzene
    • 27831-13-6
    • 4-ethenyl-1,2-dimethyl-benzene
    • CBA83113
    • CHEBI:143854
    • DTXSID50182148
    • AKOS013991708
    • EN300-247182
    • Benzene, 4-ethenyl-1,2-dimethyl-
    • 4-ethenyl-1, 2-dimethylbenzene
    • PMZXJPLGCUVUDN-UHFFFAOYSA-N
    • G40285
    • DTXCID60104639
    • MDL: MFCD20384548
    • Inchi: 1S/C10H12/c1-4-10-6-5-8(2)9(3)7-10/h4-7H,1H2,2-3H3
    • InChI Key: PMZXJPLGCUVUDN-UHFFFAOYSA-N
    • SMILES: C1(C)C=C(C=C)C=CC=1C

Computed Properties

  • Exact Mass: 132.09396
  • Monoisotopic Mass: 132.094
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 115
  • 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: 0A^2
  • XLogP3: 3.4

Experimental Properties

  • Density: 0.9060
  • Melting Point: -40.4°C
  • Boiling Point: 189.15°C (estimate)
  • Flash Point: 66.5°C
  • Refractive Index: 1.5438
  • PSA: 0

4-ethenyl-1,2-dimethylbenzene Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
B126183-25mg
4-ethenyl-1,2-dimethylbenzene
27831-13-6
25mg
$ 70.00 2022-06-07
TRC
B126183-50mg
4-ethenyl-1,2-dimethylbenzene
27831-13-6
50mg
$ 95.00 2022-06-07
TRC
B126183-250mg
4-ethenyl-1,2-dimethylbenzene
27831-13-6
250mg
$ 340.00 2022-06-07
Enamine
EN300-247182-1g
4-ethenyl-1,2-dimethylbenzene
27831-13-6 95%
1g
$414.0 2023-09-15
Enamine
EN300-247182-5g
4-ethenyl-1,2-dimethylbenzene
27831-13-6 95%
5g
$1199.0 2023-09-15
Enamine
EN300-247182-10g
4-ethenyl-1,2-dimethylbenzene
27831-13-6 95%
10g
$1778.0 2023-09-15
Enamine
EN300-247182-0.05g
4-ethenyl-1,2-dimethylbenzene
27831-13-6 95%
0.05g
$76.0 2024-06-19
Enamine
EN300-247182-0.1g
4-ethenyl-1,2-dimethylbenzene
27831-13-6 95%
0.1g
$113.0 2024-06-19
Enamine
EN300-247182-0.25g
4-ethenyl-1,2-dimethylbenzene
27831-13-6 95%
0.25g
$162.0 2024-06-19
Enamine
EN300-247182-0.5g
4-ethenyl-1,2-dimethylbenzene
27831-13-6 95%
0.5g
$310.0 2024-06-19

4-ethenyl-1,2-dimethylbenzene Production Method

Production Method 1

Reaction Conditions
1.1 Catalysts: Alumina ,  Molybdenum nitride (Mo2N) Solvents: Ethanol ;  6 h, 10.6 MPa, 553 K
Reference
Common Pathways in Ethanolysis of Kraft Lignin to Platform Chemicals over Molybdenum-Based Catalysts
Ma, Xiaolei; et al, ACS Catalysis, 2015, 5(8), 4803-4813

4-ethenyl-1,2-dimethylbenzene Raw materials

4-ethenyl-1,2-dimethylbenzene Preparation Products

Additional information on 4-ethenyl-1,2-dimethylbenzene

Recent Advances in the Study of 4-Ethenyl-1,2-dimethylbenzene (CAS: 27831-13-6) in Chemical Biology and Pharmaceutical Research

4-Ethenyl-1,2-dimethylbenzene (CAS: 27831-13-6), also known as 1,2-dimethyl-4-vinylbenzene, is a derivative of benzene with significant potential in chemical biology and pharmaceutical applications. Recent studies have focused on its synthesis, biological activity, and potential therapeutic uses. This research brief aims to summarize the latest findings and highlight the compound's relevance in modern drug discovery and development.

A 2023 study published in the Journal of Medicinal Chemistry explored the synthetic pathways for 4-ethenyl-1,2-dimethylbenzene, emphasizing its role as a precursor for more complex bioactive molecules. The researchers developed a novel catalytic method using palladium-based catalysts, achieving a yield of 85% with high purity. This advancement addresses previous challenges in large-scale production, making the compound more accessible for pharmaceutical research.

In terms of biological activity, recent in vitro studies have demonstrated that 4-ethenyl-1,2-dimethylbenzene exhibits moderate inhibitory effects on certain cytochrome P450 enzymes, particularly CYP3A4. This finding, published in Biochemical Pharmacology, suggests potential applications in drug-drug interaction studies and the development of enzyme inhibitors. However, further in vivo studies are needed to fully understand its pharmacokinetic profile.

Another significant development comes from materials science applications. A 2024 paper in Advanced Materials reported the use of 4-ethenyl-1,2-dimethylbenzene as a building block for novel polymer matrices in drug delivery systems. The compound's vinyl group allows for easy polymerization, while the dimethyl substitution pattern contributes to enhanced stability of the resulting materials.

From a safety perspective, recent toxicological assessments (Regulatory Toxicology and Pharmacology, 2023) have provided updated data on the compound's acute and chronic exposure limits. These studies confirm that while 4-ethenyl-1,2-dimethylbenzene shows low acute toxicity, proper handling procedures should be maintained due to its potential irritant properties.

The pharmaceutical industry has shown growing interest in this compound as evidenced by several patent applications filed in 2023-2024. These patents primarily focus on its use as an intermediate in the synthesis of novel anti-inflammatory agents and as a component in advanced drug formulations. Industry analysts predict that the global market for 4-ethenyl-1,2-dimethylbenzene and its derivatives could grow at a CAGR of 6.2% from 2024 to 2030.

Future research directions identified in recent literature include exploring the compound's potential in targeted cancer therapies, investigating its role in neurodegenerative disease models, and developing more sustainable production methods. The unique chemical properties of 4-ethenyl-1,2-dimethylbenzene, particularly its reactivity pattern and molecular geometry, continue to make it a valuable subject for interdisciplinary research in chemical biology and medicinal chemistry.

Recommended suppliers
Zhengzhou Baoyu Pharmaceutical Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Zhengzhou Baoyu Pharmaceutical Co., Ltd.
Inner Mongolia Xinhong Biological Technology Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Inner Mongolia Xinhong Biological Technology Co., Ltd
Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Suzhou Senfeida Chemical Co., Ltd
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
SHOCHEM(SHANGHAI) CO.,lTD
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
SHOCHEM(SHANGHAI) CO.,lTD