5-Chloro-2-methyl-4-isothiazolin-3-one CAS 26172-55-4
5-Chloro-2-methyl-4-isothiazolin-3-one Basic informationDescription Applications Safety Information
| Product Name: | 5-Chloro-2-methyl-4-isothiazolin-3-one |
| Synonyms: | 4-Isothiazolin-3-one,5-chloro-2-methyl-;5-chloro-2-methyl-3(2h)-isothiazolon;5-chloro-2-methyl-4-isothiazolin-3-on;Isothiazolinone;5-Chloro-2-methyl-4-isothiazolinone;5-CHLORIDE-2-METHYL-4-ISOTHIAZOLINE-3-KETONE;5-CHLORO-2-METHYL-4-ISOTHIAZOLIN-3-ONE (CMI);5-CHLORO-2-METHYL-3(2H)-ISOTHIAZOLONE MIXED WITH 2-METHYL-3(2H)ISOTHIAZOLONE |
| 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;1 |
| Mol File: | 26172-55-4.mol |
5-Chloro-2-methyl-4-isothiazolin-3-one Chemical Properties
| Melting point | 42-45?C |
| Boiling point | 109.7°C |
| density | 1.25 (14% aq.) |
| refractive index | n |
| storage temp. | Refrigerator |
| solubility | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly, Heated) |
| pka | -4.06±0.40(Predicted) |
| form | Liquid |
| color | White |
| Odor | Pungent aromatic odor |
| Stability: | Stable. Incompatible with strong oxidizing agents. |
| Major Application | pharmaceutical (small molecule) |
| Cosmetics Ingredients Functions | PRESERVATIVE |
| Cosmetic Ingredient Review (CIR) | 5-Chloro-2-methyl-4-isothiazolin-3-one (26172-55-4) |
| InChI | InChI=1S/C4H4ClNOS/c1-6-4(7)2-3(5)8-6/h2H,1H3 |
| InChIKey | DHNRXBZYEKSXIM-UHFFFAOYSA-N |
| SMILES | S1C(Cl)=CC(=O)N1C |
| LogP | 0.240 (est) |
| CAS DataBase Reference | 26172-55-4(CAS DataBase Reference) |
| NIST Chemistry Reference | 5-Chloro-2-methyl-3(2h)-isothiazolone(26172-55-4) |
| EPA Substance Registry System | 5-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 |
| TSCA | TSCA listed |
| HazardClass | 8 |
| PackingGroup | III |
| HS Code | 3808929090 |
| Storage Class | 12 - Non Combustible Liquids |
| Hazard Classifications | Aquatic Chronic 3 Eye Irrit. 2 Skin Irrit. 2 Skin Sens. 1 |
| Hazardous Substances Data | 26172-55-4(Hazardous Substances Data) |
| 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. |
| Description | Methy1chloro-isothiazolinone (MCI) is contained,along with methylisothiazolinone (MI), in Kathoncosmetic grade (CG) and MCI/MI. It is irritant andsensitizer. |
| Chemical Properties | Liquid |
| Uses | Isocil(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. |
| Uses | Isocil(R) PC is a cost-effective antimicrobial for personal care formulations. Suggested applications: personal care preservative. |
| Uses | Isocil(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. |
| Uses | A isothiazolidin-3-one derivative as antimicrobial. It was tested for inhibition of PCAF activity. 5-Chloroisothiazolinones showed the most potent inhibition of PCAF. |
| Definition | ChEBI: 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. |
| Toxics Screening Level | Due to a lack of toxicity information on this particular chemical, the screening level is being established under R232(i) at 0.1 μg/m3 with annual averaging. |
5-Chloro-2-methyl-4-isothiazolin-3-one Preparation Products And Raw materials
| Raw materials | Chlorine-->Methyl acrylate |
