Cas no 17404-44-3 (2-(Octan-3-yl)phenol)

2-(Octan-3-yl)phenol is a substituted phenolic compound featuring an octyl group at the third position of the phenol ring. This structure imparts moderate lipophilicity, making it useful in organic synthesis and specialty chemical applications. Its alkylphenol backbone provides stability and reactivity for derivatization, particularly in the production of surfactants, antioxidants, or polymer additives. The branched alkyl chain enhances solubility in nonpolar media while retaining phenolic functionality for further chemical modifications. The compound's defined molecular structure ensures consistent performance in research and industrial processes, offering a balance between hydrophobicity and reactivity. Its potential applications include intermediates for fine chemicals or functional materials requiring tailored phenolic properties.
2-(Octan-3-yl)phenol structure
2-(Octan-3-yl)phenol structure
Product Name:2-(Octan-3-yl)phenol
CAS No:17404-44-3
MF:C14H22O
MW:206.323884487152
MDL:MFCD24713842
CID:160497
PubChem ID:86563
Update Time:2025-05-23

2-(Octan-3-yl)phenol Chemical and Physical Properties

Names and Identifiers

    • Phenol,2-(1-ethylhexyl)-
    • 2-octan-3-ylphenol
    • 2-(octan-3-yl)phenol
    • o-(1-Ethylhexyl)phenol
    • Einecs 241-426-9
    • 2-(1-Ethylhexyl)phenol
    • Phenol, 2-(1-ethylhexyl)-
    • DTXSID10938461
    • NS00003749
    • SCHEMBL981301
    • D92919
    • AKOS037645202
    • AS-58363
    • 17404-44-3
    • WBQRXJLVMAWCMN-UHFFFAOYSA-N
    • 2-(Octan-3-yl)phenol
    • MDL: MFCD24713842
    • Inchi: 1S/C14H22O/c1-3-5-6-9-12(4-2)13-10-7-8-11-14(13)15/h7-8,10-12,15H,3-6,9H2,1-2H3
    • InChI Key: WBQRXJLVMAWCMN-UHFFFAOYSA-N
    • SMILES: OC1C=CC=CC=1C(CC)CCCCC

Computed Properties

  • Exact Mass: 206.16716
  • Monoisotopic Mass: 206.167065321g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 6
  • Complexity: 155
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.6
  • Topological Polar Surface Area: 20.2

Experimental Properties

  • PSA: 20.23

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2-(Octan-3-yl)phenol Suppliers

Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:17404-44-3)o-(1-ethylhexyl)phenol
Order Number:sfd22052
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:39
Price ($):discuss personally

Additional information on 2-(Octan-3-yl)phenol

2-(Octan-3-yl)phenol: A Comprehensive Overview

The compound 2-(Octan-3-yl)phenol, also known by its CAS number 17404-44-3, is a fascinating organic molecule with a diverse range of applications across various industries. This compound is a derivative of phenol, where the hydroxyl group (-OH) is substituted at the second position of the benzene ring by an octan-3-yl group. The octan-3-yl group, which is a branched alkyl chain, imparts unique chemical and physical properties to the molecule, making it highly versatile.

2-(Octan-3-yl)phenol has garnered significant attention in recent years due to its role in advanced materials science and pharmaceutical research. Its structure, characterized by a phenolic ring and a bulky alkyl substituent, makes it an ideal candidate for studying steric effects in chemical reactions. Recent studies have highlighted its potential as a building block for synthesizing complex organic molecules, particularly in the development of novel polymers and surfactants.

The synthesis of 2-(Octan-3-yl)phenol typically involves nucleophilic aromatic substitution or Friedel-Crafts alkylation reactions. Researchers have optimized these methods to achieve higher yields and better purity, leveraging modern catalytic systems and green chemistry principles. For instance, the use of microwave-assisted synthesis has been reported to significantly reduce reaction times while maintaining product quality.

In terms of applications, 2-(Octan-3-yl)phenol has found utility in the formulation of high-performance coatings and adhesives. Its ability to form stable emulsions and enhance surface properties makes it a valuable additive in industrial formulations. Moreover, recent advancements in nanotechnology have explored its use as a stabilizing agent for nanoparticles, owing to its amphiphilic nature.

From an environmental perspective, the biodegradability and toxicity of 2-(Octan-3-yl)phenol have been extensively studied. Experimental data indicate that it exhibits moderate biodegradability under aerobic conditions, with microbial degradation being a key pathway. However, its potential ecotoxicological effects on aquatic organisms remain an area of active research, particularly in relation to chronic exposure scenarios.

Looking ahead, the demand for 2-(Octan-3-yl)phenol is expected to grow as industries increasingly adopt sustainable practices. Its compatibility with bio-based feedstocks and its role in developing eco-friendly materials position it as a key player in the green chemistry revolution. Furthermore, ongoing research into its catalytic properties may unlock new avenues for its application in asymmetric synthesis and enantioselective reactions.

In conclusion, 2-(Octan-3-yl)phenol (CAS No. 17404-44-3) is a multifaceted compound with promising prospects across various domains. Its unique chemical structure, coupled with advancements in synthetic methodologies and application development, ensures that it will remain a subject of interest for researchers and industry professionals alike.

Recommended suppliers
Suzhou Senfeida Chemical Co., Ltd
(CAS:17404-44-3)o-(1-ethylhexyl)phenol
sfd22052
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
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