2-Methyl-4-Isothiazolin-3-one

Base Information Edit

Chemical Name:2-Methyl-4-Isothiazolin-3-one
CAS No.:2682-20-4
Deprecated CAS:184720-17-0,125794-71-0,1610617-47-4
Molecular Formula:C4H5NOS
Molecular Weight:115.156
Hs Code.:29349990
European Community (EC) Number:220-239-6
UNII:229D0E1QFA
DSSTox Substance ID:DTXSID2034259
Nikkaji Number:J34.917H
Wikipedia:Methylisothiazolinone
Wikidata:Q423870
NCI Thesaurus Code:C76267
RXCUI:1367166
Metabolomics Workbench ID:58673
ChEMBL ID:CHEMBL1620780
Mol file:2682-20-4.mol

Synonyms:4-Isothiazolin-3-one,2-methyl- (7CI,8CI);2-Methyl-2H-isothiazol-3-one;2-Methyl-3(2H)-isothiazolone;2-Methyl-3-isothiazolone;2-Methyl-4-isothiazol-3-one;Methylisothiazolinone;2-Methyl-4-isothiazoline-3-one;3(2H)-Isothiazolone,2-methyl-;KathonCG 243;Kordek 50;Kordek 50C;Kordek MLX;N-Methylisothiazolin-3-one;N-Methylisothiazolone;Neolone;Neolone 950;NeoloneCapG;Neolone M 10;Neolone M 50;Neolone PE;Optiphen MIT;ProClin 150;ProClin 950;SPX;Zonen MT;

Suppliers and Price of 2-Methyl-4-Isothiazolin-3-one

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Sigma-Aldrich
2-Methyl-4-isothiazolin-3-one analytical standard
1g
$ 101.00

Sigma-Aldrich
2-Methyl-4-isothiazolin-3-one 95%
25g
$ 323.00

Sigma-Aldrich
2-Methyl-4-isothiazolin-3-one 95%
5g
$ 81.70

Frontier Specialty Chemicals
2-Methyl-4-isothiazolin-3-one 95%
5g
$ 78.00

Frontier Specialty Chemicals
2-Methyl-4-isothiazolin-3-one 95%
1g
$ 20.00

Crysdot
2-Methylisothiazol-3(2H)-one 95+%
25g
$ 48.00

Cayman Chemical
Methylisothiazolinone
1mL
$ 25.00

Cayman Chemical
Methylisothiazolinone
5mL
$ 69.00

Cayman Chemical
Methylisothiazolinone
25mL
$ 219.00

Cayman Chemical
Methylisothiazolinone
10mL
$ 125.00

Total 194 raw suppliers

Chemical Property of 2-Methyl-4-Isothiazolin-3-one Edit

Chemical Property:

Appearance/Colour:White to yellow powder
Vapor Pressure:<0.1 mm Hg ( 25 °C)
Melting Point:254-256 °C(lit.)
Boiling Point:182.8 °C at 760 mmHg
PKA:-2.03±0.20(Predicted)
Flash Point:64.3 °C
PSA：50.24000
Density:1.293 g/cm³
LogP:0.44680
Storage Temp.:2-8°C
Solubility.:Chloroform, Ethyl Acetate
Water Solubility.:489g/L at 20℃
XLogP3:0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:115.00918496
Heavy Atom Count:7
Complexity:121

Purity/Quality:

98% ^*data from raw suppliers

2-Methyl-4-isothiazolin-3-one analytical standard ^*data from reagent suppliers

Safty Information:

Pictogram(s): C, N
Hazard Codes:N,C,T
Statements: 50/53-50-43-34-20/21/22-37-23-22
Safety Statements: 60-61-36/37/39-26-24-45

MSDS Files:: SDS file from LookChem

Useful:

Chemical Classes:Other Uses -> Biocides/Disinfectants
Canonical SMILES:CN1C(=O)C=CS1
Recent EU Clinical Trials:Hyperthermic Intraperitoneal Chemotherapy - Gastric Cancer
Description Methylisothiazolinone (also called 2-methyl-4-isothiazolin-3-one), is a powerful synthetic biocide and preservative within the group of? isothiazolinones. Methylisothiazolinone is used to control slime-forming bacteria, fungi, and algae in pulp/paper mills, cooling water systems, oil field operations, industrial process waters, and air washer systems. And it is incorporated into adhesives, coatings, fuels, metal working fluids, resin emulsions, paints, and various other specialty industrial products as a preservative. It is also used to control the growth of mold, mildew, and sapstain on wood products. It is generally recommended for use only in rinse-off and leave-on cosmetic products (maximum concentration of 100 ppm) as preservative such as shampoo, conditioner, hair color, body wash, lotion, sunscreen, mascara, shaving cream, baby lotion, baby shampoo, hairspray, makeup remover, liquid soaps, and detergents. Nevertheless, methylisothiazolinone is allergenic. It is reported that methylisothiazolinone in rinse-off products causes allergic contact dermatitis. Methylisothiazolinone (MI) is an isothiazolinone-derived biocide used for controlling microbial growth in industrial and household products, often in a mixture with 5-chloro-2-methyl-3-isothiazolone (MCI). MI is active against Gram-positive and Gram-negative bacteria, fungi, and yeast with MIC values of 0.0045, 0.0015, >0.01, and 0.0065% (w/w) for S. aureus, P. aeruginosa, A. niger, and C. albicans, respectively, when used alone. MIC values are 7 to 200-fold lower when MI is used in combination with MCI. MI decreases neurite outgrowth of rat cortical neurons when used at concentrations of 0.1-3 μM and inhibits Src family kinases in cell-free assays. MI, alone and as a mixture with MCI, can elicit contact sensitization.
Uses Methylisothiazolinone, or MIT as it is sometimes known, is a preservative used in cosmetics and beauty products. It is a powerful biocide, or “chemical substance capable of killing living organisms, usually in a selective way.”Biocides are a general term that includes antimicrobial, germicide, antibiotic, and antifungal. Ultimately, Methylisothiazolinone is used to prevent a wide variety of bacteria and fungi from growing in cosmetics and beauty products, most often in shampoo. It is only approved for use in rinse-off formulas and at low concentrations. 2-Methyl-4-isothiazolin-3-one is a isothiazolinone based biocide and preservative used in personal care products. 2-Methyl-4-isothiazolin-3-one is also used for controlling microbial growth in water-c ontaining solution. Methylisothiazolinone is a preservative compound widely used in cosmetics. It is a contact allergen and sensitiser. Methylisothiazolinone has recently been identified as a neurotoxin that can damage nerve endings with repeated exposure.

Technology Process of 2-Methyl-4-Isothiazolin-3-one

There total 12 articles about 2-Methyl-4-Isothiazolin-3-one which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%