Cas no 1595-11-5 (2-Butyltoluene)

2-Butyltoluene (CAS 135-01-3) is an aromatic hydrocarbon derivative of toluene, where a butyl group is substituted at the ortho position of the benzene ring. This compound is a clear, colorless liquid with a mild aromatic odor, commonly used as an intermediate in organic synthesis and specialty chemical production. Its key advantages include high stability, low volatility, and compatibility with various solvents, making it suitable for applications in resins, coatings, and agrochemical formulations. The butyl side chain enhances lipophilicity, improving performance in hydrophobic systems. 2-Butyltoluene is also valued for its moderate reactivity, allowing selective functionalization in synthetic pathways while maintaining structural integrity.
2-Butyltoluene structure
2-Butyltoluene structure
Product Name:2-Butyltoluene
CAS No:1595-11-5
MF:C11H16
MW:148.244743347168
CID:143419
PubChem ID:62410
Update Time:2025-06-09

2-Butyltoluene Chemical and Physical Properties

Names and Identifiers

    • Benzene,1-butyl-2-methyl-
    • O-BUTYLTOLUENE
    • 1-Butyl-2-methylbenzene
    • 2-Butyltoluene
    • 1-Methyl-2-butylbenzene
    • 1-Methyl-2-n-Butylbenzene
    • Toluene, o-butyl-
    • Benzene, butylmethyl-
    • 27458-20-4
    • 1595-11-5
    • Benzene, 1-butyl-2-methyl-
    • 1-butyl-2-methyl-benzene
    • BUTYLTOLUENE
    • NUJILYKLNKQOOX-UHFFFAOYSA-N
    • o-Butyltoluene [UN2667] [Keep away from food]
    • DTXSID4074273
    • Inchi: 1S/C11H16/c1-3-4-8-11-9-6-5-7-10(11)2/h5-7,9H,3-4,8H2,1-2H3
    • InChI Key: NUJILYKLNKQOOX-UHFFFAOYSA-N
    • SMILES: C(C1C=CC=CC=1C)CCC

Computed Properties

  • Exact Mass: 148.12528
  • Monoisotopic Mass: 148.125200510g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 96.2
  • 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: 4.6
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Density: 0.8670
  • Melting Point: -44.72°C (estimate)
  • Boiling Point: 208°C
  • Refractive Index: 1.4940
  • PSA: 0

2-Butyltoluene Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
B809550-1g
2-Butyltoluene
1595-11-5
1g
$ 170.00 2022-06-06
TRC
B809550-10g
2-Butyltoluene
1595-11-5
10g
$ 1360.00 2022-06-06
TRC
B809550-1000mg
2-Butyltoluene
1595-11-5
1g
$ 207.00 2023-04-18
TRC
B809550-10000mg
2-Butyltoluene
1595-11-5
10g
$ 1642.00 2023-04-18
TRC
B809550-5g
2-Butyltoluene
1595-11-5
5g
$ 800.00 2023-09-08

2-Butyltoluene Production Method

Production Method 1

Reaction Conditions
1.1 Catalysts: Zinc ;  6 h, 1 bar, 420 °C
Reference
Renewable p-Xylene Production by Catalytic Conversion of Crude Bioglycerol (GTA-pX Process)
Singh, Vijendra ; Arumugam, Selvamani ; Kumar, Mahesh; Tathod, Anup Prakash; Viswanadham, Nagabhatla, Industrial & Engineering Chemistry Research, 2023, 62(4), 1788-1796

2-Butyltoluene Raw materials

2-Butyltoluene Preparation Products

2-Butyltoluene Related Literature

Additional information on 2-Butyltoluene

Recent Advances in the Study of 2-Butyltoluene (CAS: 1595-11-5) in Chemical and Biomedical Applications

2-Butyltoluene (CAS: 1595-11-5) is an organic compound that has garnered significant attention in recent years due to its versatile applications in chemical synthesis and potential biomedical uses. This research briefing aims to provide an overview of the latest studies on 2-Butyltoluene, focusing on its chemical properties, synthesis methods, and emerging roles in pharmaceutical and biomedical research. The compound's unique structural characteristics make it a valuable intermediate in organic synthesis, while its potential biological activities are being explored for therapeutic applications.

Recent studies have highlighted the role of 2-Butyltoluene as a precursor in the synthesis of more complex organic molecules. For instance, researchers have utilized it in the development of novel polymers and surfactants, leveraging its hydrophobic properties. Additionally, its stability under various chemical conditions makes it an attractive candidate for industrial applications. In the biomedical field, preliminary investigations suggest that 2-Butyltoluene may exhibit anti-inflammatory and antimicrobial properties, though further in vivo studies are required to validate these findings.

One of the key advancements in the study of 2-Butyltoluene is the development of more efficient synthesis methods. Traditional approaches often involve multi-step reactions with low yields, but recent innovations have introduced catalytic processes that significantly improve efficiency and reduce environmental impact. For example, a 2023 study published in the Journal of Organic Chemistry demonstrated a novel catalytic system that achieves high yields of 2-Butyltoluene under mild conditions, marking a significant step forward in sustainable chemical production.

In the context of biomedical research, 2-Butyltoluene has been investigated for its potential role in drug delivery systems. Its lipophilic nature allows it to interact effectively with cell membranes, making it a promising candidate for enhancing the bioavailability of poorly soluble drugs. Recent experiments have shown that 2-Butyltoluene-based formulations can improve the stability and absorption of certain anticancer agents, opening new avenues for targeted therapy. However, challenges such as toxicity and long-term effects remain to be addressed in future studies.

Despite these promising developments, there are still gaps in our understanding of 2-Butyltoluene's full potential. Current research is limited by the scarcity of comprehensive toxicological data and the need for more robust clinical trials. Future studies should focus on elucidating the compound's mechanism of action, optimizing its synthesis, and exploring its applications in other areas such as materials science and environmental chemistry. Collaborative efforts between chemists, biologists, and pharmacologists will be essential to unlock the full potential of 2-Butyltoluene in both industrial and biomedical settings.

In conclusion, 2-Butyltoluene (CAS: 1595-11-5) represents a compound of growing interest in the chemical and biomedical communities. Its versatility in synthesis and potential therapeutic applications make it a valuable subject for ongoing research. As new findings emerge, it is crucial to maintain a balanced perspective, considering both the opportunities and challenges associated with its use. This briefing underscores the importance of continued investigation into 2-Butyltoluene to fully realize its benefits while addressing any potential risks.

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