Cas no 26530-24-5 (5-Chloro-2-n-octyl-4-isothiazolin-3-one)

5-Chloro-2-n-octyl-4-isothiazolin-3-one is a highly effective biocide belonging to the isothiazolinone class, widely recognized for its broad-spectrum antimicrobial activity. This compound exhibits strong efficacy against bacteria, fungi, and algae, making it suitable for use in industrial applications such as coatings, adhesives, and metalworking fluids. Its chemical stability and low volatility ensure prolonged protection in formulated products. The presence of the chloro and n-octyl substituents enhances its biocidal performance while maintaining compatibility with various matrices. Due to its targeted mode of action, it is effective at low concentrations, minimizing environmental impact. Proper handling is essential due to its potency.
5-Chloro-2-n-octyl-4-isothiazolin-3-one structure
26530-24-5 structure
Product Name:5-Chloro-2-n-octyl-4-isothiazolin-3-one
CAS No:26530-24-5
MF:C11H18ClNOS
MW:247.784720897675
CID:249682
PubChem ID:9899670
Update Time:2025-10-28

5-Chloro-2-n-octyl-4-isothiazolin-3-one Chemical and Physical Properties

Names and Identifiers

    • 5-Chloro-2-n-octyl-4-isothiazolin-3-one
    • 3(2H)-Isothiazolone,5-chloro-2-octyl-
    • 5-CHLORO-2-N-OCTYL-4-ISOTHIAZOLIN-3-ONE,LIGHT YELLOW OIL
    • 5-chloro-2-octyl-1,2-thiazol-3-one
    • 4-Isothiazolin-3-one,5-chloro-2-octyl- (8CI)
    • 2-n-Octyl-5-chloro-3-isothiazolone
    • 5-Chloro-2-octyl-3-isothiazolone
    • 5-chloro-N-n-octylisothiazolin-3-one
    • SCHEMBL1851730
    • FT-0664851
    • 26530-24-5
    • 5-chloro-2-octylisothiazol-3(2H)-one
    • 5-Chloro-2-octyl-3(2H)-isothiazolone
    • DTXSID10432555
    • J-016462
    • 5-chloro-2-octyl-1, 2-thiazol-3-one
    • 3(2H)-Isothiazolone, 5-chloro-2-octyl-
    • 5-chloro-2-octyl-2,3-dihydro-1,2-thiazol-3-one
    • Inchi: 1S/C11H18ClNOS/c1-2-3-4-5-6-7-8-13-11(14)9-10(12)15-13/h9H,2-8H2,1H3
    • InChI Key: PTMXFIUOGSODQW-UHFFFAOYSA-N
    • SMILES: ClC1=CC(N(CCCCCCCC)S1)=O

Computed Properties

  • Exact Mass: 247.07994
  • Monoisotopic Mass: 247.0797631g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 7
  • Complexity: 243
  • 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: 4.3
  • Topological Polar Surface Area: 45.6?2

Experimental Properties

  • Density: 1.157
  • Boiling Point: 318.862°C at 760 mmHg
  • Flash Point: 146.643°C
  • Refractive Index: 1.543
  • PSA: 20.31

5-Chloro-2-n-octyl-4-isothiazolin-3-one Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
C374900-2mg
5-Chloro-2-n-octyl-4-isothiazolin-3-one
26530-24-5
2mg
$133.00 2023-05-18
TRC
C374900-5mg
5-Chloro-2-n-octyl-4-isothiazolin-3-one
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5mg
$321.00 2023-05-18
TRC
C374900-10mg
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10mg
$597.00 2023-05-18
TRC
C374900-25mg
5-Chloro-2-n-octyl-4-isothiazolin-3-one
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25mg
$ 1325.00 2023-09-08
A2B Chem LLC
AB31453-25mg
3(2H)-Isothiazolone, 5-chloro-2-octyl-
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$1313.00 2023-12-31

Additional information on 5-Chloro-2-n-octyl-4-isothiazolin-3-one

5-Chloro-2-n-octyl-4-isothiazolin-3-one: A Comprehensive Overview

5-Chloro-2-n-octyl-4-isothiazolin-3-one (CAS No. 26530-24-5) is a specialized organic compound that has garnered significant attention in various industrial and scientific applications. This compound belongs to the class of isothiazolones, which are widely recognized for their antimicrobial properties. The structure of 5-Chloro-2-n-octyl-4-isothiazolin-3-one is characterized by a heterocyclic ring system with a chlorine substituent at position 5 and an n-octyl group at position 2, contributing to its unique chemical properties and functional versatility.

Recent studies have highlighted the importance of isothiazolinones in the development of biocidal agents, particularly in industrial settings. The compound's ability to inhibit microbial growth makes it a valuable component in formulations designed for preserving water-based systems, such as cooling towers and process waters. Researchers have also explored its potential in enhancing the efficacy of personal care products, including shampoos and lotions, where its antimicrobial activity helps prevent contamination and extend shelf life.

The synthesis of 5-Chloro-2-n-octyl-4-isothiazolin-3-one involves a multi-step chemical process that ensures the precise placement of substituents on the isothiazolone ring. This process typically includes nucleophilic substitution reactions and careful control over reaction conditions to achieve high purity and stability. The resulting compound exhibits excellent solubility in organic solvents, which facilitates its incorporation into various formulations.

One of the most notable advancements in the application of isothiazolinones is their use in sustainable agricultural practices. Scientists have investigated their role as eco-friendly alternatives to traditional pesticides, particularly in controlling plant pathogens without adverse environmental impacts. The compound's selective toxicity towards microbial pathogens while being relatively safe for higher organisms has positioned it as a promising candidate for green chemistry initiatives.

In addition to its antimicrobial properties, 5-Chloro-2-n-octyl-4-isothiazolin-3-one has been studied for its potential in materials science. Researchers have explored its ability to act as a stabilizing agent in polymer formulations, enhancing the durability and resistance of materials against microbial degradation. This dual functionality underscores the compound's versatility across diverse industries.

From a regulatory perspective, the use of isothiazolinones is subject to stringent safety assessments to ensure compliance with international standards. Regulatory bodies have emphasized the importance of thorough toxicological evaluations to determine safe exposure limits and ensure human health protection. Recent studies have focused on understanding the compound's metabolism and potential long-term effects, providing valuable insights for risk assessment and safe handling practices.

The global market for isothiazolinones continues to grow, driven by increasing demand from industries such as pharmaceuticals, agriculture, and personal care products. Market analysis indicates a shift toward more sustainable production methods and innovative applications, reflecting the compound's adaptability to evolving industry needs.

In conclusion, 5-Chloro-2-n-octyl-4-isothiazolin-3-one (CAS No. 26530-24-5) stands out as a versatile and effective compound with wide-ranging applications across multiple sectors. Its unique chemical properties, coupled with ongoing research into novel uses and improved production methods, ensure its continued relevance in both industrial and scientific contexts.

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