Methylisothiazolinone (CAS 2682-20-4) — formula C4H5NOS, molecular weight 115.01 g/mol.
| CAS Number | 2682-20-4 |
|---|---|
| Molecular Formula | C4H5NOS |
| Molecular Weight | 115.01 g/mol |
| Melting Point | 50-51 °C |
| Boiling Point | BP: 93 °C at 0.03 mm Hg |
| LogP | 0 |
| Applications | Uses: CIR ingredient: Methylisothiazolinone, Used as a biocide and preservative in cosmetics, paints, and glues, it is present in Kathon KG, MCI, MI, and Euxyl K100, [Kanerva, p. 1815] Used as an antimicrobial in cosmetics, hygiene products, emulsions, cutting oils, paper coatings, and water storage and cooling units, [Merck Index] Used as a biocide in textile production, [Danish Ministry of the Environment] Used as a preservative in pesticide products, [EPA - Inert Reassessments] Used as a biocide in pulp, paper mills, industrial process and cooling water systems, oil field operations, and air cleaner systems, and as a preservative in adhesives, coatings, fuels, metalworking fluids, resin emulsions, and wood products, [Reference #1], Metal Machining [Category: Heat or Machine], Petroleum Production and Refining [Category: Industry], Pulp and Paper Processing [Category: Industry], Painting (Pigments, Binders, and Biocides) [Category: Paint], Working with Glues and Adhesives [Category: Other], Applying Wood Preservatives [Category: Other], Using Disinfectants or Biocides [Category: Clean], Farming (Pesticides) [Category: Industry], Textiles (Printing, Dyeing, or Finishing) [Category: Industry], Dressing Hair [Category: Other], For 2-methyl-3(2H)-isothiazolone (USEPA, OPP Pesticide Code: 107104) ACTIVE products with label matches., SRP: Registered for use in the USA but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses., Marketed in combination with methylchloroisothiazolinone as a broad spectrum biocide., Antimicrobial preservative in cosmetics, and water storage and cooling units., Biocide in cooling towers, paper and pulp mills, cosmetics and toiletries, plastics, and anti-fouling paints, For more Uses (Complete) data for Methylisothiazolinone (8 total), please visit the HSDB record page., Use Classification: EPA Safer Chemical Functional Use Classes -> Preservatives and Antioxidants, Safer Chemical Classes -> Yellow triangle - The chemical has met Safer Choice Criteria for its functional ingredient-class, but has some hazard profile issues, Cosmetics -> Preservative, Industry Uses: Preservative, Emulsifier, Corrosion inhibitor, Brightener, Other, Lubricating agent, Processing aids not otherwise specified, Surfactant (surface active agent), Monomers, Consumer Uses: Monomers, Cleaning agent, Preservative, Impurities: Impurity (manufacturing by-products)[Table#8182], Formulations, Preparations: All of the products containing MIT, Methylisothiazolinone, and MIT, CMIT, Chloromethyliosthiazolinone, are formulated as ready to use solutions, flowable concentrates and liquid soluble concentrates., Form: Soluble concentrate, liquid, soluble concentrate, solid., The formulation intermediate and all currently registered end-use products are a combination of 5-chloro-2-methyl-3(2H)-isothiazolone and 2-methyl-3(2H)-isothiazolone in an equilibrium ratio of approximately 3:1., The National Pesticide Information Retrieval System (NPIRS) identifies 32 companies with active labels for products containing the chemical 2-methyl-3(2H)-isothiazolone. To view the complete list of companies, product names and percent 2-methyl-3(2H)-isothiazolonechlorpyrifos in formulated products click the following url and enter the CAS Registry number in the Active Ingredient field., For more Formulations, Preparations (Complete) data for Methylisothiazolinone (51 total), U.S. Production: 2023: <25, 000 lb, 2022: 50, 000 - <250, 2021: <25, 2020: <50, Production volumes for non-confidential chemicals reported under the Inventory Update Rule.[Table#8186], Non-confidential 2012 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: 3(2H)-Isothiazolone, 2-methyl-. National Production Volume: 2, 496 lb, yr., General Manufacturing Information: Oil and Gas Drilling, Extraction, and Support activities, Transportation Equipment Manufacturing, Soap, Cleaning Compound, and Toilet Preparation Manufacturing, Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing, Miscellaneous Manufacturing, Wood Product Manufacturing, Other (requires additional information), Plastics Material and Resin Manufacturing, Paint and Coating Manufacturing, Non-metallic Mineral Product Manufacturing (includes clay, glass, cement, concrete, lime, gypsum, and other non-metallic mineral product manufacturing), Not Known or Reasonably Ascertainable, Furniture and Related Product Manufacturing, All Other Chemical Product and Preparation Manufacturing, 3(2H)-Isothiazolone, 2-methyl-: ACTIVE, 2-Methyl-3(2H)-isothiazolinone and 5-chloro-3-methyl-3(2H)-isothiazolinone occur together in 101 currently registered products in approximately a 3:1 ratio, and are commonly referred to collectively as methylisothiazolinone. |
Documented applications: Uses: CIR ingredient: Methylisothiazolinone, Used as a biocide and preservative in cosmetics, paints, and glues, it is present in Kathon KG, MCI, MI, and Euxyl K100, [Kanerva, p. 1815] Used as an antimicrobial in cosmetics, hygiene products, emulsions, cutting oils, paper coatings, and water storage and cooling units, [Merck Index] Used as a biocide in textile production, [Danish Ministry of the Environment] Used as a preservative in pesticide products, [EPA - Inert Reassessments] Used as a biocide in pulp, paper mills, industrial process and cooling water systems, oil field operations, and air cleaner systems, and as a preservative in adhesives, coatings, fuels, metalworking fluids, resin emulsions, and wood products, [Reference #1], Metal Machining [Category: Heat or Machine], Petroleum Production and Refining [Category: Industry], Pulp and Paper Processing [Category: Industry], Painting (Pigments, Binders, and Biocides) [Category: Paint], Working with Glues and Adhesives [Category: Other], Applying Wood Preservatives [Category: Other], Using Disinfectants or Biocides [Category: Clean], Farming (Pesticides) [Category: Industry], Textiles (Printing, Dyeing, or Finishing) [Category: Industry], Dressing Hair [Category: Other], For 2-methyl-3(2H)-isothiazolone (USEPA, OPP Pesticide Code: 107104) ACTIVE products with label matches., SRP: Registered for use in the USA but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses., Marketed in combination with methylchloroisothiazolinone as a broad spectrum biocide., Antimicrobial preservative in cosmetics, and water storage and cooling units., Biocide in cooling towers, paper and pulp mills, cosmetics and toiletries, plastics, and anti-fouling paints, For more Uses (Complete) data for Methylisothiazolinone (8 total), please visit the HSDB record page., Use Classification: EPA Safer Chemical Functional Use Classes -> Preservatives and Antioxidants, Safer Chemical Classes -> Yellow triangle - The chemical has met Safer Choice Criteria for its functional ingredient-class, but has some hazard profile issues, Cosmetics -> Preservative, Industry Uses: Preservative, Emulsifier, Corrosion inhibitor, Brightener, Other, Lubricating agent, Processing aids not otherwise specified, Surfactant (surface active agent), Monomers, Consumer Uses: Monomers, Cleaning agent, Preservative, Impurities: Impurity (manufacturing by-products)[Table#8182], Formulations, Preparations: All of the products containing MIT, Methylisothiazolinone, and MIT, CMIT, Chloromethyliosthiazolinone, are formulated as ready to use solutions, flowable concentrates and liquid soluble concentrates., Form: Soluble concentrate, liquid, soluble concentrate, solid., The formulation intermediate and all currently registered end-use products are a combination of 5-chloro-2-methyl-3(2H)-isothiazolone and 2-methyl-3(2H)-isothiazolone in an equilibrium ratio of approximately 3:1., The National Pesticide Information Retrieval System (NPIRS) identifies 32 companies with active labels for products containing the chemical 2-methyl-3(2H)-isothiazolone. To view the complete list of companies, product names and percent 2-methyl-3(2H)-isothiazolonechlorpyrifos in formulated products click the following url and enter the CAS Registry number in the Active Ingredient field., For more Formulations, Preparations (Complete) data for Methylisothiazolinone (51 total), U.S. Production: 2023: <25, 000 lb, 2022: 50, 000 - <250, 2021: <25, 2020: <50, Production volumes for non-confidential chemicals reported under the Inventory Update Rule.[Table#8186], Non-confidential 2012 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: 3(2H)-Isothiazolone, 2-methyl-. National Production Volume: 2, 496 lb, yr., General Manufacturing Information: Oil and Gas Drilling, Extraction, and Support activities, Transportation Equipment Manufacturing, Soap, Cleaning Compound, and Toilet Preparation Manufacturing, Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing, Miscellaneous Manufacturing, Wood Product Manufacturing, Other (requires additional information), Plastics Material and Resin Manufacturing, Paint and Coating Manufacturing, Non-metallic Mineral Product Manufacturing (includes clay, glass, cement, concrete, lime, gypsum, and other non-metallic mineral product manufacturing), Not Known or Reasonably Ascertainable, Furniture and Related Product Manufacturing, All Other Chemical Product and Preparation Manufacturing, 3(2H)-Isothiazolone, 2-methyl-: ACTIVE, 2-Methyl-3(2H)-isothiazolinone and 5-chloro-3-methyl-3(2H)-isothiazolinone occur together in 101 currently registered products in approximately a 3:1 ratio, and are commonly referred to collectively as methylisothiazolinone..
Methylisothiazolinone is a chemical compound with CAS registry number 2682-20-4 and molecular formula C4H5NOS (molecular weight 115.01 g/mol).
CAS number: 2682-20-4
Its molecular formula C4H5NOS comprises 4 C, 5 H, 1 N, 1 O, 1 S atoms.
Also known as: Methylisothiazolinone · 甲基异噻唑啉酮 MIT
The CAS registry number of Methylisothiazolinone is 2682-20-4.
Molecular formula C4H5NOS, molecular weight 115.01 g/mol.
It is also registered under: Methylisothiazolinone, 甲基异噻唑啉酮 MIT.
Recorded applications: Uses: CIR ingredient: Methylisothiazolinone, Used as a biocide and preservative in cosmetics, paints, and glues, it is present in Kathon KG, MCI, MI, and Euxyl K100, [Kanerva, p. 1815] Used as an antimicrobial in cosmetics, hygiene products, emulsions, cutting oils, paper coatings, and water storage and cooling units, [Merck Index] Used as a biocide in textile production, [Danish Ministry of the Environment] Used as a preservative in pesticide products, [EPA - Inert Reassessments] Used as a biocide in pulp, paper mills, industrial process and cooling water systems, oil field operations, and air cleaner systems, and as a preservative in adhesives, coatings, fuels, metalworking fluids, resin emulsions, and wood products, [Reference #1], Metal Machining [Category: Heat or Machine], Petroleum Production and Refining [Category: Industry], Pulp and Paper Processing [Category: Industry], Painting (Pigments, Binders, and Biocides) [Category: Paint], Working with Glues and Adhesives [Category: Other], Applying Wood Preservatives [Category: Other], Using Disinfectants or Biocides [Category: Clean], Farming (Pesticides) [Category: Industry], Textiles (Printing, Dyeing, or Finishing) [Category: Industry], Dressing Hair [Category: Other], For 2-methyl-3(2H)-isothiazolone (USEPA, OPP Pesticide Code: 107104) ACTIVE products with label matches., SRP: Registered for use in the USA but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses., Marketed in combination with methylchloroisothiazolinone as a broad spectrum biocide., Antimicrobial preservative in cosmetics, and water storage and cooling units., Biocide in cooling towers, paper and pulp mills, cosmetics and toiletries, plastics, and anti-fouling paints, For more Uses (Complete) data for Methylisothiazolinone (8 total), please visit the HSDB record page., Use Classification: EPA Safer Chemical Functional Use Classes -> Preservatives and Antioxidants, Safer Chemical Classes -> Yellow triangle - The chemical has met Safer Choice Criteria for its functional ingredient-class, but has some hazard profile issues, Cosmetics -> Preservative, Industry Uses: Preservative, Emulsifier, Corrosion inhibitor, Brightener, Other, Lubricating agent, Processing aids not otherwise specified, Surfactant (surface active agent), Monomers, Consumer Uses: Monomers, Cleaning agent, Preservative, Impurities: Impurity (manufacturing by-products)[Table#8182], Formulations, Preparations: All of the products containing MIT, Methylisothiazolinone, and MIT, CMIT, Chloromethyliosthiazolinone, are formulated as ready to use solutions, flowable concentrates and liquid soluble concentrates., Form: Soluble concentrate, liquid, soluble concentrate, solid., The formulation intermediate and all currently registered end-use products are a combination of 5-chloro-2-methyl-3(2H)-isothiazolone and 2-methyl-3(2H)-isothiazolone in an equilibrium ratio of approximately 3:1., The National Pesticide Information Retrieval System (NPIRS) identifies 32 companies with active labels for products containing the chemical 2-methyl-3(2H)-isothiazolone. To view the complete list of companies, product names and percent 2-methyl-3(2H)-isothiazolonechlorpyrifos in formulated products click the following url and enter the CAS Registry number in the Active Ingredient field., For more Formulations, Preparations (Complete) data for Methylisothiazolinone (51 total), U.S. Production: 2023: <25, 000 lb, 2022: 50, 000 - <250, 2021: <25, 2020: <50, Production volumes for non-confidential chemicals reported under the Inventory Update Rule.[Table#8186], Non-confidential 2012 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: 3(2H)-Isothiazolone, 2-methyl-. National Production Volume: 2, 496 lb, yr., General Manufacturing Information: Oil and Gas Drilling, Extraction, and Support activities, Transportation Equipment Manufacturing, Soap, Cleaning Compound, and Toilet Preparation Manufacturing, Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing, Miscellaneous Manufacturing, Wood Product Manufacturing, Other (requires additional information), Plastics Material and Resin Manufacturing, Paint and Coating Manufacturing, Non-metallic Mineral Product Manufacturing (includes clay, glass, cement, concrete, lime, gypsum, and other non-metallic mineral product manufacturing), Not Known or Reasonably Ascertainable, Furniture and Related Product Manufacturing, All Other Chemical Product and Preparation Manufacturing, 3(2H)-Isothiazolone, 2-methyl-: ACTIVE, 2-Methyl-3(2H)-isothiazolinone and 5-chloro-3-methyl-3(2H)-isothiazolinone occur together in 101 currently registered products in approximately a 3:1 ratio, and are commonly referred to collectively as methylisothiazolinone..
Independent reference data for Methylisothiazolinone (CAS 2682-20-4), compiled from public chemistry databases.
| CAS Registry Number | 2682-20-4 |
|---|---|
| PubChem CID | 39800 |
| Molecular formula | C4H5NOS |
| Molecular weight | 115.01 g/mol |
| IUPAC name | 2-methyl-1,2-thiazol-3-one |
| InChIKey | BEGLCMHJXHIJLR-UHFFFAOYSA-N |
| UNII (FDA) | 229D0E1QFA |
| ChEBI ID | CHEBI:53620 |
| Molecular Weight | 115.16 |
|---|---|
| XLogP3 | 0 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 115.00918496 |
| Monoisotopic Mass | 115.00918496 |
| Topological Polar Surface Area | 45.6 |
| Heavy Atom Count | 7 |
| Boiling Point | BP: 93 °C at 0.03 mm Hg |
|---|---|
| Melting Point | 50-51 °C |
| Density | 1.35 g/mL at 25 °C |
| Vapor Pressure | 0.062 mm Hg at 25 °C |
| Other Experimental Properties | log Kow = -0.486 at 24 °C |
2682-20-4; Methylisothiazolinone; 2-Methyl-4-isothiazolin-3-one; 2-Methyl-3(2H)-isothiazolone; 2-Methyl-4-isothiazoline-3-one; N-methylisothiazolone; 3(2H)-Isothiazolone, 2-methyl-; 2-methyl-3-isothiazolone; n-methylisothiazolin-3-one; Neolone 950; DTXSID2034259; 2-methyl-1,2-thiazol-3(2H)-one; 229D0E1QFA; 2-Methyl-4-isothiazoline-3-ketone; DTXCID0014259; CHEBI:53620
| Regulatory & Food Contact | FDA Cumulative Estimated Daily Intake (CEDI): FCS FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS FDA Inventory of Effective Food Contact Substance (FCS) Noti: FCS 2-Methyl-4-isothiazolin-3-one (CAS Reg. No. 2682-20-4) as a 20 percent solution As an antimicrobial agent in adhesives and in components of adhesives for food-contact articles. As an antimic As an antimicrobial agent for preservation of latex emulsions destined for use in latex gloves intended to con |
|---|---|
| GHS notification summary | 3.7% (92 / 2504) |
| GHS notification summary | 3.7% (92 / 2504) |
|---|---|
| Reported hazard statements | H301, H311, H314, H317, H318, H330, H400, H410 |
H301: Toxic if swallowed [Danger Acute toxicity, oral]
H311: Toxic in contact with skin [Danger Acute toxicity, dermal]
Methylisothiazolinone is identified by CAS 2682-20-4, molecular formula C4H5NOS and molecular weight 115.01 g/mol. UNII 229D0E1QFA; ChEBI 53620; InChIKey BEGLCMHJXHIJLR-UHFFFAOYSA-N. Boiling Point: BP: 93 °C at 0.03 mm Hg; Melting Point: 50-51 °C; Density: 1.35 g/mL at 25 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 甲基异噻唑啉酮 MIT