HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Reaktionsgemisch, bestehend aus5-Chlor-2-methyl-2H-isothiazol-3-on und 2-Methyl-2H-isothiazol-3-on (3:1)
Kathon 886 · kathon biocide · Isothiazolinone chloride · 5-Chloro-2-methyl-3(2H)-isothiazolone with 2-methyl-3(2H)-isothiazolone · Con WT · NeoCide · Sidchem 715 · CMIT/MIT 1.5CG
Identifikatoren & physikalische Daten
| CAS No. | 55965-84-9 |
|---|---|
| Summenformel | C8H9ClN2O2S2 |
| Durchschnittliche Molmasse | 264,8 g/mol |
| SMILES | Cn1sc(Cl)cc1=O.Cn1sccc1=O |
| InChIKey | QYYMDNHUJFIDDQ-UHFFFAOYSA-N |
| PubChem CID | 41679 |
| ChEMBL | CHEMBL108095 |
| EC No. | 611-341-5 |
| Lokaler Name | Reaktionsgemisch, bestehend aus5-Chlor-2-methyl-2H-isothiazol-3-on und 2-Methyl-2H-isothiazol-3-on (3:1) |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 91,2 |
|---|---|
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 277 |
| Duftstoffe | Fragrance Ingredient (3(2H)_-_Isothiazolone, 5-_chloro-_2-_methyl-_, mixt. with 2-_methyl-_3(2H)_-_isothiazolone) -> IFRA transparency List |
| Food Contact Substances | FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
| Physical Description | Liquid |
| Siedepunkt | 100.1℃ at 101.325kPa |
| Dichte | d20 1.19 |
| Dampfdruck | 0.003-17Pa at 20-45℃ |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Soluble), DMSO (Slightly), Methanol (Slightly), Water |
| Aggregatzustand | Liquid |
| Farbe | Colorless to light yellow |
| pH | 3.43 at 20℃ and 10g/L |
| InChI | InChI=1S/C4H4ClNOS.C4H5NOS/c1-6-4(7)2-3(5)8-61-5-4(6)2-3-7-5/h2H,1H32-3H,1H3 |
| InChIKey | QYYMDNHUJFIDDQ-UHFFFAOYSA-N |
| SMILES | O=C1C=C(SN1C)Cl.O=C1C=CSN1C |
| LogP (Verteilungskoeffizient) | -0.34-0.81 at 10-30℃ and pH5-9 |
| Oberflächenspannung | 72.6-73mN/m at 1-1.106g/L and 19.5-20℃ |
| EPA chemische Informationen | 5-Chloro-2-methyl-3(2H)-isothiazolone mixt. with 2-methyl-3(2H)-isothiazolone (55965-84-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301: Toxic if swallowed [Danger Acute toxicity, oral]P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P333+P317, P361+P364, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1945) of reports.H301 (99.8%): Toxic if swallowed [Danger Acute toxicity, oral] |
|---|---|
| Regulatorische Informationen | 3(2H)-Isothiazolone, 5-chloro-2-methyl-, mixt. with 2-methyl-3(2H)-isothiazolone is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 3(2H)-Isothiazolone, 5-chloro-2-methyl-, mixt. with 2-methyl-3(2H)-isothiazolone are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 14-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/23870Mixture of methylchloroisothiazolinone and methylisothiazolinone: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | PEC / SN / Other assessments - Common skin sensitisersâhazard classification: Health |
| Hazard Classes and Categories | Acute Tox. 3 (99.8%)Acute Tox. 3 (100%)Acute Tox. 4 (100%)Acute toxicity (inhalation) - category 2Acute Tox. 2 |
| Toxizität | LD50 (mg/kg) orally in rabbits: 30i.p. in male, female rats: 4.6, 4.3LC50 (6 day) in trout, sunfish (mg/l): 0.14, 0.54LC50 (8 day dietary) in Bobwhite quail, Peking duck (mg/kg/day): >60, >100 (J. Am. Coll. Toxicol.) |
Anwendungen & Verwendung
Beschreibung
Kathon 886 metalwork fluid is a mixture of the two isothiazoliones contained in Kathon CG, at a 13.9% concentration. It is mainly contained in metalwork fluids. As an active component of Aigezid Ⅱ and contained in a water bath used for phtotographic development, it caused contact dermatitis in a photograph developer.
Verwenden
Antimicrobial preservative in cosmetics, hygeine products, paints, emulsions, cutting oils, paper coatings, and water storage and cooling units.