Basic information
- CAS
55965-84-9- Standard SMILES
Cn1sc(Cl)cc1=O.Cn1sccc1=O- InChIKey
QYYMDNHUJFIDDQ-UHFFFAOYSA-N- Molecular formula
- C8H9ClN2O2S2
- Average molar mass
- 264.8 g/mol
Overview
industrial biocide & cosmetic preservative formulation; contains methylcholoro-isothiazolinone and methylcholoroisothiazolinone
Names & identifiers
- Preferred name
- Kathon
- IUPAC
- 5-chloro-2-methyl-1,2-thiazol-3-one;2-methyl-1,2-thiazol-3-one
- English name
- Methylchloroisothiazolinone/methylisothiazolinone mixture (MCIT/MIT)
- Molecular formula
- C4H5NOS.C4H4ClNOS
- Molecular weight
- 264.75
Names & synonyms
55965-84-9Kathon 886Kathon LX15O9QS218W3(2H)-Isothiazolone, 5-chloro-2-methyl-, mixt. with 2-methyl-3(2H)-isothiazoloneKathon 886 biocideMBC-215RefChem:151011KathonKathon biocideKathon CGKathon 886MW
Show more names
Isothiazolinone chloride5-Chloro-2-methyl-3(2H)-isothiazolone with 2-methyl-3(2H)-isothiazoloneCon WTNeoCideSidchem 715CMIT/MIT 1.5CGCMIT/MIT B/PLUSCMI/MI Kathon 886
Zonen FProClin 3002-Methylisothiazol-3(2H)-one compound with 5-chloro-2-methylisothiazol-3(2H)-one(14%in H2O)2-Methylisothiazol-3(2H)-one compound with 5-chloro-2-methylisothiazol-3(2H)-one5-chloro-2-methyl-1,2-thiazol-3-one;2-methyl-1,2-thiazol-3-oneBio-Perge5-Chloro-2-methyl-3(2H)-isothiazolone mixt. with 2-methyl-3(2H)-isothiazoloneKathon WT
Database identifiers
- CAS
55965-84-9- PubChem CID
- 41679
- ChEMBL
CHEMBL108095- EC Number
- 611-341-5、911-418-6、932-593-5
Properties
Computed structural properties
- Topological polar surface area
- 91.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 277
Experimental & physicochemical properties
FragrancesFragrance Ingredient (3(2H)_-_Isothiazolone, 5-_chloro-_2-_methyl-_, mixt. with 2-_methyl-_3(2H)_-_isothiazolone) -> IFRA transparency List
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical DescriptionLiquid
Physicochemical properties
- Boiling point
- 100.1 ℃ · 100.1℃ at 101.325kPa
- Density
- 20 · d20 1.19
- vapor pressure
- 0.003 · 0.003-17Pa at 20-45℃
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Soluble), DMSO (Slightly), Methanol (Slightly), Water
- form
- Liquid
- color
- Colorless to light yellow
- PH
- 3.43 at · 3.43 at 20℃ and 10g/L
- InChI
- InChI=1S/C4H4ClNOS.C4H5NOS/c1-6-4(7)2-3(5)8-6;1-5-4(6)2-3-7-5/h2H,1H3;2-3H,1H3
- InChIKey
- QYYMDNHUJFIDDQ-UHFFFAOYSA-N
- SMILES
- O=C1C=C(SN1C)Cl.O=C1C=CSN1C
- LogP
- -0.34 · -0.34-0.81 at 10-30℃ and pH5-9
- Surface tension
- 72.6 · 72.6-73mN/m at 1-1.106g/L and 19.5-20℃
- Dissociation constant
- 2.81 · 2.81-4.2 at 20-25℃
- Indirect Additives used in Food Contact Substances
- 5 · 5-CHLORO-2-METHYL-4-ISOTHIAZOLIN-3-ONE MIXTURE WITH 2-METHYL-4-ISOTHIAZOLIN-3-ONE
- FDA 21 CFR
- 175.105 · 175.105; 176.170
- FDA UNII
- 15 O9QS218W · 15O9QS218W
- EPA Substance Registry System
- 5 · 5-Chloro-2-methyl-3(2H)-isothiazolone mixt. with 2-methyl-3(2H)-isothiazolone (55965-84-9)
- Symbol(GHS)
- 6 · GHS06,GHS05,GHS09
- Signal word
- Danger
- Hazard statements
- 301 · H301-H310-H314-H317-H330-H410
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501-P273-P391-P501
- Toxicity
- 50 · LD50 (mg/kg) orally in rabbits: 30; i.p. in male, female rats: 4.6, 4.3; LC50 (6 day) in trout, sunfish (mg/l): 0.14, 0.54; LC50 (8 day dietary) in Bobwhite quail, Peking duck (mg/kg/day): >60, >100 (J. Am. Coll. Toxicol.)
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Danger
H301: 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.
Danger
H301 (99.8%): Toxic if swallowed [Danger Acute toxicity, oral]
Hazard information
Regulatory Information
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/23870
Mixture of methylchloroisothiazolinone and methylisothiazolinone: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationPEC / 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 2
Acute Tox. 2
Safety data
- Toxicity
- LD50 (mg/kg) orally in rabbits: 30; i.p. in male, female rats: 4.6, 4.3; LC50 (6 day) in trout, sunfish (mg/l): 0.14, 0.54; LC50 (8 day dietary) in Bobwhite quail, Peking duck (mg/kg/day): >60, >100 (J. Am. Coll. Toxicol.)
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS05,GHS09
- Hazard statements
- H301-H310-H314-H317-H330-H410
- REACH Registrations
- Active
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501-P273-P391-P501
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationChemical agents that increase the rate of genetic mutation by interfering with the function of nucleic acids. A clastogen is a specific mutagen that causes breaks in chromosomes.
Uses & manufacturing
U.S. Production2023: <50,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesNot Known or Reasonably Ascertainable
Household ProductsInformation on 63 consumer products that contain Kathon biocide in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing InformationNot Known or Reasonably Ascertainable
Applications
DescriptionKathon 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.
DescriptionMethylchloroisothiazolinone/methylisothiazolinone mixture (MCIT/MIT) is a mixture of isothiazolinone-derived biocides. It is effective against Gram-positive and Gram-negative bacteria with MIC values of 0.0002, 0.0002, 0.00005, and 0.00005% (w/w) for S. aureus, P. aeruginosa, A. niger, and C. albicans, respectively. MCIT/MIT can elicit contact sensitization. Formulations containing MCIT/MIT have been used for controlling microbial growth in industrial and household products.
UsesAntimicrobial preservative in cosmetics, hygeine products, paints, emulsions, cutting oils, paper coatings, and water storage and cooling units.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
苏州晶茂生物技术有限公司0512-65917170 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
武汉赛沃尔化工有限公司027-85613400 18707177243 · [email protected]
合肥天健化工有限公司551-65418679 15856988503;15837135945 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
Connect Chemicals GmbH+49 2102 2077 19 · [email protected]
武汉吉业升化工有限公司027-13545242311 13545242311 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
台州南峰药物研究所[email protected] 18616377689 · [email protected]
南京杜莱生物技术有限公司025-84699383-8003;025-846993838003-8003 18013301590 · [email protected]
湖北隆信化工实业有限公司15271551270 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
美岚实业（上海）有限公司021-58958189 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
上海有朋化工有限公司021-69005955 13701776567 · [email protected]
北京海力扬化学科技有限公司13718199399 · [email protected]
北京欣赛维化学科技有限公司010-56218822 13717722232 · [email protected]
四川海诺威科技有限公司13708085536 13708085536 · [email protected]
上海凯赛化工有限公司021-33516722 13701817765 · [email protected]
上海彤源化工有限公司021-021-69182866 13701855675 · [email protected]
北京华扬致成科技有限公司13716033033 · [email protected]
上海蓝润化学有限公司021-69515658 ; 69515628 13701998368 · [email protected]
上海容立化学科技有限公司021-69992220 13701886816 · [email protected]
上海康拓化工有限公司021-69185552 13701777608 · [email protected]
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
石家庄通洋进出口有限公司[email protected]
TargetMol中国（陶术生物）021-021-33632979 15002134094 · [email protected]
湖北源梦生物科技有限公司027-68897569 18120462897 · [email protected]
成都京欣科技有限公司028-85005297 13980656781 · [email protected]
南京择优新材料科技有限公司173-40521416 17340521416 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
武汉市承天精细化工有限公司18164098996 · [email protected]
湖北齐飞医药化工有限公司027-59322506 18071128681 · [email protected]
武汉克米克生物医药技术有限公司027-13163388153 13163388153 · [email protected]
上海习致化学有限公司021-69005855 13701817869 · [email protected]
上海朋索生化科技有限公司021-59118555 13701823997 · [email protected]
上海新平精细化学品有限公司18221735425 · [email protected]
深圳市森迪生物科技有限公司18126413629 0755-23311925 2355327053 · [email protected]
深圳市森迪生物科技有限公司18124570582 TEL：0755-23574479 2355327139 · [email protected]
Related reactions
2 records
Compound notes
Loading…