Cas no 4074-43-5 (Phenol, 3-butyl-)

Phenol, 3-butyl- (CAS 1638-22-8), also known as 3-Butylphenol, is a substituted phenolic compound featuring a butyl group at the meta position. This derivative exhibits enhanced lipophilicity compared to phenol, making it useful in organic synthesis and as an intermediate for specialty chemicals. Its structure allows for selective reactivity in alkylation, acylation, and polymerization processes. The compound's stability and moderate polarity make it suitable for applications in resin modification, surfactants, and agrochemical formulations. Proper handling is required due to its phenolic properties, including potential irritancy. Storage should be in a cool, dry environment to maintain purity and prevent degradation.
Phenol, 3-butyl- structure
Phenol, 3-butyl- structure
Product Name:Phenol, 3-butyl-
CAS No:4074-43-5
MF:C10H14O
MW:150.217563152313
CID:330060
PubChem ID:19994
Update Time:2025-05-19

Phenol, 3-butyl- Chemical and Physical Properties

Names and Identifiers

    • Phenol, 3-butyl-
    • 3-butylphenol
    • m-Hydroxybutylbenzene
    • m-Butylphenol
    • Q27259006
    • A1-19838
    • CHEMBL464392
    • 4750GDF6TN
    • UNII-4750GDF6TN
    • M-HYDROXY-N-BUTYLBENZENE
    • 4074-43-5
    • 3-n-Butylphenol
    • MQSXUKPGWMJYBT-UHFFFAOYSA-N
    • CHEBI:215759
    • NS00022153
    • DTXSID60193725
    • PHENOL, m-BUTYL-
    • SCHEMBL295433
    • EINECS 223-790-0
    • Inchi: 1S/C10H14O/c1-2-3-5-9-6-4-7-10(11)8-9/h4,6-8,11H,2-3,5H2,1H3
    • InChI Key: MQSXUKPGWMJYBT-UHFFFAOYSA-N
    • SMILES: OC1=CC=CC(=C1)CCCC

Computed Properties

  • Exact Mass: 150.10452
  • Monoisotopic Mass: 150.104465066g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 101
  • 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: 3.5
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • Density: 0.9740
  • Melting Point: 46.81°C (estimate)
  • Boiling Point: 247°C
  • Refractive Index: 1.5094 (estimate)
  • PSA: 20.23

Phenol, 3-butyl- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
A2B Chem LLC
AF97032-1g
3-butylphenol
4074-43-5 95%
1g
$677.00 2024-04-20

Phenol, 3-butyl- Related Literature

Additional information on Phenol, 3-butyl-

Phenol, 3-butyl-

Phenol, 3-butyl-, also known by its CAS number 4074-43-5, is an organic compound that has garnered significant attention in both academic and industrial research. This compound is a derivative of phenol, with a butyl group attached at the third position of the benzene ring. Its chemical structure makes it a versatile molecule with applications in various fields, including materials science, pharmaceuticals, and catalysis.

The synthesis of Phenol, 3-butyl- typically involves the alkylation of phenol using appropriate alkylating agents. Recent advancements in catalytic methods have enabled more efficient and selective syntheses, reducing byproducts and enhancing yield. For instance, researchers have explored the use of solid acid catalysts and microwave-assisted techniques to streamline the production process. These innovations not only improve the economic viability of the compound but also align with the growing demand for sustainable chemical manufacturing practices.

In terms of physical properties, Phenol, 3-butyl- exhibits a melting point of approximately 15°C and a boiling point around 180°C under standard conditions. Its solubility in organic solvents such as dichloromethane and diethyl ether makes it suitable for various chemical reactions and formulations. The compound's ability to form stable derivatives has been leveraged in the development of advanced materials, including thermoplastics and high-performance polymers.

The application of Phenol, 3-butyl- in materials science is particularly noteworthy. It serves as a precursor for synthesizing polyurethanes and epoxy resins, which are widely used in construction and automotive industries. Recent studies have highlighted its role in creating lightweight yet durable composites that can withstand harsh environmental conditions. These materials are increasingly being adopted in aerospace applications due to their exceptional mechanical properties.

In the field of biomedicine, Phenol, 3-butyl- has shown potential as an antimicrobial agent. Researchers have demonstrated its effectiveness against a range of bacterial strains, including drug-resistant pathogens. This property makes it a promising candidate for developing new generations of antiseptics and wound care products. Furthermore, its ability to inhibit biofilm formation has opened avenues for combating chronic infections associated with medical devices.

The catalytic properties of Phenol, 3-butyl- have also been explored extensively. It has been used as a ligand in transition metal catalysts for various organic reactions, such as Heck coupling and Suzuki-Miyaura cross-coupling. Recent breakthroughs in asymmetric catalysis have further expanded its utility in synthesizing chiral molecules with high enantioselectivity. These advancements are pivotal in drug discovery and fine chemical synthesis.

From an environmental perspective, the biodegradability of Phenol, 3-butyl- has been a subject of interest. Studies indicate that under aerobic conditions, the compound can be metabolized by microorganisms into less harmful byproducts. This characteristic is crucial for assessing its environmental impact and ensuring sustainable disposal practices.

In conclusion, Phenol, 3-butyl-, with its unique chemical properties and diverse applications, continues to be a focal point in scientific research. Its role in materials science, biomedicine, and catalysis underscores its importance across multiple disciplines. As researchers delve deeper into its potential uses and optimize its production methods, this compound is poised to contribute significantly to technological advancements while maintaining eco-friendly practices.

Recommended suppliers
Shandong Jing Kun Chemical Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shandong Jing Kun Chemical Co.,Ltd.
煙臺(tái)朗裕新材料科技有限公司
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Wuhan Comings Biotechnology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Wuhan Comings Biotechnology Co., Ltd.
SunaTech Inc.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
SunaTech Inc.
Hebei Liye chemical Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Hebei Liye chemical Co.,Ltd