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2682-20-4

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2-Methyl-4-Isothiazolin-3-one
Cas No: 2682-20-4
No Data 1 Gram 1-1000 Metric Ton/Day Dayang Chem (Hangzhou) Co.,Ltd. Contact Supplier
2-Methyl-4-Isothiazolin-3-one
Cas No: 2682-20-4
USD $ 3.0-4.0 / Kilogram 1 Kilogram 10 Metric Ton/Day Hangzhou Ocean Chemical Co., Ltd. Contact Supplier
MIT50%
Cas No: 2682-20-4
No Data 100 Kilogram Metric Ton/Day taicang liyuan chemical co,.ltd Contact Supplier
MIT
Cas No: 2682-20-4
No Data No Data 50 Metric Ton/Month Shanghai SMEC Trading Co., Ltd. Contact Supplier
High quality Isothiazolone supplier in China
Cas No: 2682-20-4
No Data 1 Kilogram 30 Metric Ton/Month Simagchem Corporation Contact Supplier
2682-20-4 2-Methyl-4-Isothiazolin-3-one
Cas No: 2682-20-4
USD $ 40.0-50.0 / Gram 1 Gram 1000 Metric Ton/Day WUHAN MULEI NEW MATERIAL CO., LTD Contact Supplier
2-Methyl-4-Isothiazoline-3-one
Cas No: 2682-20-4
No Data 1 Kilogram 3000 Metric Ton/Year Hefei TNJ chemical industry co.,ltd Contact Supplier
2-Methyl-4-Isothiazolin-3-one
Cas No: 2682-20-4
No Data 1 Gram 20 Metric Ton/Month Henan Allgreen Chemical Co.,Ltd Contact Supplier
2-Methyl-4-Isothiazolin-3-one MIT 10%,20%,50%,70% CAS NO.2682-20-4
Cas No: 2682-20-4
No Data 1 Metric Ton 200 Metric Ton/Year EAST CHEMSOURCES LIMITED Contact Supplier
Amadis Chemical offer CAS#2682-20-4;CAT#A818618
Cas No: 2682-20-4
No Data 10 Milligram Amadis Chemical Co., Ltd. Contact Supplier

2682-20-4 Usage

Contact allergens

MI is generally associated with MCI, in Kathon? CG, MCI/MI, and Euxyl? K 100. This preservative is currently used in water-based products such as cosmetics, paints, and glues. Skin contact with concentrated solution can cause severe irritant dermatitis.

References

[1] http://www.safecosmetics.org/get-the-facts/chemicals-of-concern/methylisothiazolinone/
[2] K. Yazar, M. D. Lundov, A. Faurschou, M. Matura, A. Boman, J. D. Johansen, C. Lidén (2015) Methylisothiazolinone in rinse-off products causes allergic contact dermatitis: a repeated open-application study, 173, 115-122
[3] https://www3.epa.gov/pesticides/chem_search/reg_actions/reregistration/fs_G-58_1-Oct-98.pdf

Uses

A potent biocide useful for controlling microbial growth

Chemical Properties

Yellow Low melting Solid

Definition

ChEBI: A 1,2-thazole that is 4-isothiazolin-3-one bearing a methyl group on the nitrogen atom. It is a powerful biocide and preservative and is the minor active ingredient in the commercial product KathonTM.

Uses

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.

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.
InChI:InChI=1/C4H5NOS/c1-5-4(6)2-3-7-5/h2-3H,1H3

2682-20-4 Well-known Company Product Price

Brand (Code)Product description CAS number Packaging Price Detail
Aldrich (725765)  2-Methyl-4-isothiazolin-3-one  95% 2682-20-4 725765-25G 3,258.45CNY Detail
Aldrich (725765)  2-Methyl-4-isothiazolin-3-one  95% 2682-20-4 725765-5G 826.02CNY Detail
Sigma-Aldrich (73569)  2-Methyl-4-isothiazolin-3-one  analytical standard 2682-20-4 73569-1G 1,081.08CNY Detail

2682-20-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name methylisothiazolinone

1.2 Other means of identification

Product number -
Other names methylisothiazolin-3-one

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Preservatives and Antioxidants
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:2682-20-4 SDS

2682-20-4Synthetic route

5-(4-Methoxy-benzoyl)-2-methyl-isothiazol-3-one
77052-39-2

5-(4-Methoxy-benzoyl)-2-methyl-isothiazol-3-one

2-methyl-3-isothiazolone
2682-20-4

2-methyl-3-isothiazolone

Conditions
ConditionsYield
With sodium hydroxide In benzene Ambient temperature;100%
N,N'-dimethyl-3,3'-dithiodipropionamide
999-72-4

N,N'-dimethyl-3,3'-dithiodipropionamide

2-methyl-3-isothiazolone
2682-20-4

2-methyl-3-isothiazolone

Conditions
ConditionsYield
With chlorine; potassium iodide In ethyl acetate at 35 - 50℃; for 0.0833333h;90%
Stage #1: N,N'-dimethyl-3,3'-dithiodipropionamide With thionyl chloride In ethyl acetate at 15℃; for 0.166667h;
Stage #2: With chlorine In ethyl acetate at 15℃; for 5h; Reagent/catalyst; Temperature; Solvent;
84.9%
With hydrogenchloride; chlorine In water; ethyl acetate at 15 - 25℃; Large scale;75%
With sulfuryl dichloride In 1,2-dichloro-ethane
isothiazol
288-16-4

isothiazol

tert-Butyl peroxybenzoate
614-45-9

tert-Butyl peroxybenzoate

2-methyl-3-isothiazolone
2682-20-4

2-methyl-3-isothiazolone

Conditions
ConditionsYield
With copper (I) fluoride In chlorobenzene at 130℃; for 24h; Schlenk technique; Inert atmosphere;80%
(Z)-3-(benzylsulfinyl)-N-methylpropenamide
159554-02-6

(Z)-3-(benzylsulfinyl)-N-methylpropenamide

2-methyl-3-isothiazolone
2682-20-4

2-methyl-3-isothiazolone

Conditions
ConditionsYield
With trichloroacetic acid anhydride In dichloromethane 1.) 0 deg C, 1 h, 2.) room temperature, 2 h;66%
N,N'-dimethyl-3,3'-dithiodipropionamide
999-72-4

N,N'-dimethyl-3,3'-dithiodipropionamide

A

5-chloro-2-methyl-2H-isothiazol-3-one
26172-55-4

5-chloro-2-methyl-2H-isothiazol-3-one

B

2-methyl-3-isothiazolone
2682-20-4

2-methyl-3-isothiazolone

Conditions
ConditionsYield
With thionyl chloride In 1,2-dichloro-ethane at 10℃; for 2h;A 18%
B 56%
With chlorine In ethyl acetate; acetonitrile at 5 - 10℃; for 1h; Solvent; Temperature; Overall yield = 85 percent;
N,N'-dimethyl-3,3'-dithiodipropionamide
999-72-4

N,N'-dimethyl-3,3'-dithiodipropionamide

A

5-chloro-2-methyl-2H-isothiazol-3-one
26172-55-4

5-chloro-2-methyl-2H-isothiazol-3-one

B

4,5-Dichloro-2-methyl-3(2H)-isothiazolone
26542-23-4

4,5-Dichloro-2-methyl-3(2H)-isothiazolone

C

2-methyl-3-isothiazolone
2682-20-4

2-methyl-3-isothiazolone

Conditions
ConditionsYield
With thionyl chloride In 1,2-dichloro-ethaneA 34%
B 8%
C 44%
tert-Butyl peroxybenzoate
614-45-9

tert-Butyl peroxybenzoate

2-methyl-isothiazolidin-3-one
1003-22-1

2-methyl-isothiazolidin-3-one

2-methyl-3-isothiazolone
2682-20-4

2-methyl-3-isothiazolone

Conditions
ConditionsYield
With copper(l) chloride In benzene for 4h; Heating;
2-methyl-isothiazolidin-3-one
1003-22-1

2-methyl-isothiazolidin-3-one

2-methyl-3-isothiazolone
2682-20-4

2-methyl-3-isothiazolone

Conditions
ConditionsYield
With sulfuryl dichloride In tetrachloromethane Ambient temperature;
3-methoxy-2-methyl-isothiazolium; fluorosulfate

3-methoxy-2-methyl-isothiazolium; fluorosulfate

2-methyl-3-isothiazolone
2682-20-4

2-methyl-3-isothiazolone

Conditions
ConditionsYield
With thiourea In methanol; dichloromethane1.0 g (29%)
3-chloro-2-methyl-isothiazolium; fluorosulfate

3-chloro-2-methyl-isothiazolium; fluorosulfate

2-methyl-3-isothiazolone
2682-20-4

2-methyl-3-isothiazolone

Conditions
ConditionsYield
10.4 g (53%)
N-methyl-3-mercaptopropionamide
52334-99-3

N-methyl-3-mercaptopropionamide

A

5-chloro-2-methyl-2H-isothiazol-3-one
26172-55-4

5-chloro-2-methyl-2H-isothiazol-3-one

B

2-methyl-3-isothiazolone
2682-20-4

2-methyl-3-isothiazolone

Conditions
ConditionsYield
With chlorine In N,N-dimethyl acetamide; chlorobenzene at 40 - 45℃; for 1h; Overall yield = 74 percent;
Stage #1: N-methyl-3-mercaptopropionamide With acetyl chloride In benzene at 25℃; for 0.666667h;
Stage #2: With chlorine In benzene at 25℃; for 1h; Reagent/catalyst; Temperature; Solvent; Overall yield = 86.2 percent;
2-methyl-3-isothiazolone
2682-20-4

2-methyl-3-isothiazolone

3-Chlor-2-methylisothiazolium Chlorid (II)
68449-61-6

3-Chlor-2-methylisothiazolium Chlorid (II)

Conditions
ConditionsYield
With oxalyl dichloride In toluene at 80℃;85%
2-methyl-3-isothiazolone
2682-20-4

2-methyl-3-isothiazolone

2-methylisothiazol-3(2H)-one 1,1-dioxide

2-methylisothiazol-3(2H)-one 1,1-dioxide

Conditions
ConditionsYield
With 3-chloro-benzenecarboperoxoic acid In dichloromethane at 20 - 25℃; for 15h;85%
With 3-chloro-benzenecarboperoxoic acid In dichloromethane at 30℃; for 17.5h;85%
uranyl nirate hexahydrate

uranyl nirate hexahydrate

2-methyl-3-isothiazolone
2682-20-4

2-methyl-3-isothiazolone

UO2(NO3)2(2-methylisothiazol-3(2H)-one)2

UO2(NO3)2(2-methylisothiazol-3(2H)-one)2

Conditions
ConditionsYield
In ethanol at 20℃; for 2h;71%
pentaamminetrifluoromethanesulfonato ruthenium(III) trifluoromethanesulfonate
84278-98-8

pentaamminetrifluoromethanesulfonato ruthenium(III) trifluoromethanesulfonate

2-methyl-3-isothiazolone
2682-20-4

2-methyl-3-isothiazolone

[(2-methylisothiazol-3(2H)-one)pentaamminruthenium(III)](CF3SO3)3

[(2-methylisothiazol-3(2H)-one)pentaamminruthenium(III)](CF3SO3)3

Conditions
ConditionsYield
In acetone for 0.166667h; Reflux; Microwave irradiation;63%
n-octyne
629-05-0

n-octyne

2-methyl-3-isothiazolone
2682-20-4

2-methyl-3-isothiazolone

A

(Z)-3-((E)-2-Chloro-oct-1-enylsulfanyl)-N-methyl-acrylamide

(Z)-3-((E)-2-Chloro-oct-1-enylsulfanyl)-N-methyl-acrylamide

B

(Z)-3-{1-[1-Chloro-meth-(E)-ylidene]-heptylsulfanyl}-N-methyl-acrylamide

(Z)-3-{1-[1-Chloro-meth-(E)-ylidene]-heptylsulfanyl}-N-methyl-acrylamide

Conditions
ConditionsYield
With hydrogenchloride at 80℃;A n/a
B 60%
With hydrogenchloride at 80℃; Yields of byproduct given;
norborn-2-ene
498-66-8

norborn-2-ene

2-methyl-3-isothiazolone
2682-20-4

2-methyl-3-isothiazolone

(Z)-3-((1R,2S,3S,4S)-3-Chloro-bicyclo[2.2.1]hept-2-ylsulfanyl)-N-methyl-acrylamide

(Z)-3-((1R,2S,3S,4S)-3-Chloro-bicyclo[2.2.1]hept-2-ylsulfanyl)-N-methyl-acrylamide

Conditions
ConditionsYield
With hydrogenchloride In chloroform-d1 at 80℃;20%
aquapentaammineruthenium(II) hexafluorophosphate
34843-18-0

aquapentaammineruthenium(II) hexafluorophosphate

2-methyl-3-isothiazolone
2682-20-4

2-methyl-3-isothiazolone

(2-methylisothiazol-3(2H)-one)pentaamminruthenium(II)(PF6)2

(2-methylisothiazol-3(2H)-one)pentaamminruthenium(II)(PF6)2

Conditions
ConditionsYield
In water at 50℃; for 0.25h; Inert atmosphere; Schlenk technique;14%
potassium tetrachloroplatinate(II)
10025-99-7

potassium tetrachloroplatinate(II)

dibenzo-18-crown-6
14187-32-7

dibenzo-18-crown-6

2-methyl-3-isothiazolone
2682-20-4

2-methyl-3-isothiazolone

K(dibenzo-18-crown-6)[(2-methylisothiazol-3(2H)-one)PtCl3]

K(dibenzo-18-crown-6)[(2-methylisothiazol-3(2H)-one)PtCl3]

Conditions
ConditionsYield
In chloroform; water at 20℃; for 72h;9.6%
trifluoromethanesulfonatopentaamminecobalt(III) trifluoromethanesulfonate
115245-01-7

trifluoromethanesulfonatopentaamminecobalt(III) trifluoromethanesulfonate

sodium perchlorate

sodium perchlorate

water
7732-18-5

water

2-methyl-3-isothiazolone
2682-20-4

2-methyl-3-isothiazolone

(2-methylisothiazol-3(2H)-one)pentaamminecobalt(III)(ClO4)3*3H2O

(2-methylisothiazol-3(2H)-one)pentaamminecobalt(III)(ClO4)3*3H2O

Conditions
ConditionsYield
Stage #1: trifluoromethanesulfonatopentaamminecobalt(III) trifluoromethanesulfonate; 2-methyl-3-isothiazolone In acetone for 0.333333h; Reflux; Microwave irradiation;
Stage #2: sodium perchlorate; water at -0.16℃;
6.8%
Methyl fluorosulfonate
421-20-5

Methyl fluorosulfonate

2-methyl-3-isothiazolone
2682-20-4

2-methyl-3-isothiazolone

3-methoxy-2-methyl-isothiazolium; fluorosulfate

3-methoxy-2-methyl-isothiazolium; fluorosulfate

2-methyl-3-isothiazolone
2682-20-4

2-methyl-3-isothiazolone

4,5-dibromo-2-methyl-isothiazol-3-one
64359-58-6

4,5-dibromo-2-methyl-isothiazol-3-one

Conditions
ConditionsYield
(i) Br2, DMF, AcOEt, (ii) Br2; Multistep reaction;
2-methyl-3-isothiazolone
2682-20-4

2-methyl-3-isothiazolone

4-bromo-2-methyl-isothiazol-3-one
26529-99-7

4-bromo-2-methyl-isothiazol-3-one

Conditions
ConditionsYield
With bromine In 1,2-dichloro-ethane
2-methyl-3-isothiazolone
2682-20-4

2-methyl-3-isothiazolone

4,5-Dichloro-2-methyl-3(2H)-isothiazolone
26542-23-4

4,5-Dichloro-2-methyl-3(2H)-isothiazolone

Conditions
ConditionsYield
With sulfuryl dichloride In ethyl acetate
With sulfuryl dichloride In ethyl acetate
2-methyl-3-isothiazolone
2682-20-4

2-methyl-3-isothiazolone

isothiazol-3-yl-methyl-amine
68449-74-1

isothiazol-3-yl-methyl-amine

Conditions
ConditionsYield
(i) POCl3, (ii) NH3, MeCN; Multistep reaction;
Stage #1: 2-methyl-3-isothiazolone With trichlorophosphate
Stage #2: With ammonia In acetonitrile at 0 - 20℃;
2-methylpropan-2-thiol
75-66-1

2-methylpropan-2-thiol

2-methyl-3-isothiazolone
2682-20-4

2-methyl-3-isothiazolone

C8H15NOS2

C8H15NOS2

Conditions
ConditionsYield
In sodium hydroxide; acidic aq. solution at 26℃; pH=4; Kinetics;
5-chloro-2-methyl-2H-isothiazol-3-one
26172-55-4

5-chloro-2-methyl-2H-isothiazol-3-one

disodium hydrogen phosphate

disodium hydrogen phosphate

ethylenediamine tetraacid disodium salt

ethylenediamine tetraacid disodium salt

2-methyl-3-isothiazolone
2682-20-4

2-methyl-3-isothiazolone

sodium phosphate

sodium phosphate

2-octyl-isothiazol-3-one
26530-20-1

2-octyl-isothiazol-3-one

Conditions
ConditionsYield
With sodium chloride
With sodium chloride
potassium phosphate

potassium phosphate

5-chloro-2-methyl-2H-isothiazol-3-one
26172-55-4

5-chloro-2-methyl-2H-isothiazol-3-one

disodium hydrogen phosphate

disodium hydrogen phosphate

2-methyl-3-isothiazolone
2682-20-4

2-methyl-3-isothiazolone

2-octyl-isothiazol-3-one
26530-20-1

2-octyl-isothiazol-3-one

Conditions
ConditionsYield
With potassium chloride; sodium chloride
With potassium chloride; sodium chloride
5-chloro-2-methyl-2H-isothiazol-3-one
26172-55-4

5-chloro-2-methyl-2H-isothiazol-3-one

disodium hydrogen phosphate

disodium hydrogen phosphate

2-methyl-3-isothiazolone
2682-20-4

2-methyl-3-isothiazolone

sodium phosphate

sodium phosphate

2-octyl-isothiazol-3-one
26530-20-1

2-octyl-isothiazol-3-one

Conditions
ConditionsYield
With sodium chloride
With sodium chloride

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