Isothiazolinones

Isothiazolinones Basic information
Description Applications Safety Information
Product Name:Isothiazolinones
Synonyms:5-CHLORO-2-METHYL-ISOTHIAZOLIN-3(2H)-ONE;5-CHLORO-2-METHYLISOTHIAZOLINONE;5-CHLORO-2-METHYL-2,3-DIHYDROISOTHIAZOL-3-ONE;METHYL/CHLOROMETHYLISOTHIAZOLINONE;2-METHYL-5-CHLOROISOTHIAZOLIN-3-ONE;5-CHLORO-2-METHYLISOTHIAZOLIN-3-ONE;KATHON886F;KATHONFP
CAS:26172-55-4
MF:C4H4ClNOS
MW:149.6
EINECS:247-500-7
Product Categories:Antibacterial agent;plantgrowth;Industrial/Fine Chemicals;INORGANIC & ORGANIC CHEMICALS;Biocide;Heterocycles;Inhibitors;Sulfur & Selenium Compounds;Bactericide and Algicide;26172-55-4
Mol File:26172-55-4.mol
Isothiazolinones Structure
Isothiazolinones Chemical Properties
Melting point 42-45?C
Boiling point 109.7°C
density 1.25 (14% aq.)
refractive index n20/D 1.378
storage temp. Refrigerator
solubility Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly, Heated)
form Liquid
pka-4.06±0.40(Predicted)
Stability:Stable. Incompatible with strong oxidizing agents.
LogP0.240 (est)
CAS DataBase Reference26172-55-4(CAS DataBase Reference)
NIST Chemistry Reference5-Chloro-2-methyl-3(2h)-isothiazolone(26172-55-4)
EPA Substance Registry System5-Chloro-2-methyl-4-isothiazolin-3-one (26172-55-4)
Safety Information
Hazard Codes C,N,T,Xn
Risk Statements 34-43-50-20/21/22-50/53-23/24/25-42/43
Safety Statements 26-36/37/39-45-60-61-24-28-36/37-23
RIDADR UN 1760 8/PG 2
WGK Germany 1
RTECS NX8156850
HazardClass 8
PackingGroup III
HS Code 3808929090
Hazardous Substances Data26172-55-4(Hazardous Substances Data)
MSDS Information
ProviderLanguage
SigmaAldrich English
Isothiazolinones Usage And Synthesis
Description

Isothiazolinone is a heterocyclic chemical compound related to isothiazole. Isothiazolinone is an antimicrobial preservative that is often used to control fungi, bacteria, and algae. Since water-containing solutions are the breeding grounds for bacteria, isothiazolinone can easily be used in such solutions.

Applications

Although isothiazolinones have no direct applications, their derivatives such as 5-chloro-2-methyl-4-isothiazolin-3-on and 2-methyl-4-isothiazolin-3 which are used together as preservatives in commercial households and cosmetics products, for instance, cleaners, shampoos, and washing materials. Notably, various products that use isothiazolinones are in the market, including shampoo, hand sanitizer, and lotions. Isothiazolinones is used in these products as an inhibitor of microbial activity that could lead to the product spoiling before the expected expiration date.

Safety Information

The recommended use of isothiazolinone products by the manufacturers used as wrinkle releaser is not harmful. However, allergy to skin is one of the most reported issue with isothiazolinone.

DescriptionMethy1chloro-isothiazolinone (MCI) is contained, along with methylisothiazolinone (MI), in Kathon cosmetic grade (CG) and MCI/MI. It is irritant and sensitizer.
Chemical PropertiesLiquid
UsesA isothiazolidin-3-one derivative as antimicrobial. It was tested for inhibition of PCAF activity. 5-Chloroisothiazolinones showed the most potent inhibition of PCAF.
UsesIsocil(R) RW is a high performance industrial microbiocide for use in recirculating water cooling towers, wood, mold and mildew control, pulp and paper mills, air washer systems. Suggested applications: Industrial water treatment. Very low use levels.
UsesIsocil(R) PC is a cost-effective antimicrobial for personal care formulations. Suggested applications: personal care preservative.
UsesIsocil(R) MW-14 is a high performance biocide for preserving metal working fluids, hydraulic fluids, polymer emulsions, pigment dispersions. Suggested applications: preservative concentrate. Very low level.
DefinitionChEBI: A 1,2-thiazole that is 4-isothiazolin-3-one bearing a methyl group on the nitrogen atom and a chlorine at C-5. It is a powerful biocide and preservative and is the major active ingredient in the commercial product KathonTM.
Isothiazolinones Preparation Products And Raw materials
Raw materialsChlorine-->Methyl acrylate
isocyanatocyclopropane 2-TERT-BUTYL-5-CHLORO-ISOTHIAZOL-3-ONE Methyl 5-Chloro-2-methyl-4-isothiazolin-3-one(CMI) & 2-methyl-4-isothiazolin-3-one (MI) 5-CHLORO-2-METHYL-4-ISOTHIAZOLIN-3-ONE/2-METHYL-4-ISOTHIAZOL-3-ONE, (CMIT/MIT) BIOCIDE thiazol-3-one METHYLCHLOROISOTHIAZOLINONE 3(2H)-chloro-2-methyl-3(2H)-isothiazolone, calcium chloride complex 5-Chloro-2-methyl-4-isothiazolin-3-one calcium chloride with 2-methyl-4-isothazolin-3-one calcium chloride Kathon 5-Chloro-2-(n-octyl-d17)-4-isothiazolin-3-one 5-CHLORO-2-METHYL-4-ISOTHIAZOLIN-3-ONE/2-METHYL-4- 5-CHLORO-2-METHYL-4-ISOTHIAZOLIN-3-ONE CALCIUMCHLORIDE 5-Chloro-2-n-octyl-4-isothiazolin-3-one Isothiazole 5-Chloro-2-methyl-3(2H)-isothiazolone, mixt. with 2-methyl-3(2H)-isothiazolone 2-tert-Butyl-5-chloroisothiazol-3(2H)-one 5-Chloro-2-methyl-2H-isothiazol-3-one hydrochloride

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