ChemicalBook--->CAS DataBase List--->26172-55-4

26172-55-4

26172-55-4 Structure

26172-55-4 Structure
IdentificationMore
[Name]

5-Chloro-2-methyl-4-isothiazolin-3-one
[CAS]

26172-55-4
[Synonyms]

2-Methyl-2,3-dihydroisothiazol-3-one
2-methyl-3-isothiazolone
2-methylisothiazol-3-one
5-Chloro-2-methyl-3(2H)-isothiazolone
5-CHLORO-2-METHYL-4-ISOTHIAZOLIN-3-ONE
5-CHLORO-2-METHYL-4-ISOTHIAZOLINE-3-ONE
5-CHLORO-2-METHYL-4-ISOTHIOAZOLIN-3-ONE
5-CHLORO-2-METHYL-ISOTHIAZOL-3-ONE
5-Chloro-2-methyl-Isothiazolone
Kathon WT
mci/mi
methyl-3(2h)-isothiazolone
4-Isothiazolin-3-one,5-chloro-2-methyl-
5-chloro-2-methyl-3(2h)-isothiazolon
5-chloro-2-methyl-4-isothiazolin-3-on
5-chloro-2-methyl-isothiazolylthione-3
kathoncg5243
methylchloroisothiazoline
5-chloro-2-methyl-2H-isothiazol-3-one
Isothiazolinone
[EINECS(EC#)]

247-500-7
[Molecular Formula]

C4H4ClNOS
[MDL Number]

MFCD00792550
[Molecular Weight]

149.6
[MOL File]

26172-55-4.mol
Chemical PropertiesBack Directory
[Appearance]

Liquid
[Melting point ]

42-45?C
[Boiling point ]

109.7°C
[density ]

1.25 (14% aq.)
[refractive index ]

n20/D 1.378
[storage temp. ]

Refrigerator
[solubility ]

Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly, Heated)
[form ]

Liquid
[pka]

-4.06±0.40(Predicted)
[color ]

White
[Odor]

Pungent aromatic odor
[Stability:]

Stable. Incompatible with strong oxidizing agents.
[Usage]

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.
[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
[Contact allergens]

MCI is mainly associated with methylisothiazolinone for its bactericidal and fongistatic properties. It is found in Kathon® CG or derivatives. MCI is found in water-based products such as cosmetics, paints, and glues. Pure MCI is highly irritant and may cause active sensitization
[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]

26172-55-4(EPA Substance)
Hazard InformationBack Directory
[Chemical Properties]

Liquid
[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.
[Uses]

Isocil(R) is a cost-effective antimicrobial.
[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.
[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.
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H317-H319-H412
[Precautionary statements ]

P261-P264-P273-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

C,N,T
[Risk Statements ]

R34:Causes burns.
R43:May cause sensitization by skin contact.
R50:Very Toxic to aquatic organisms.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S60:This material and/or its container must be disposed of as hazardous waste .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S24:Avoid contact with skin .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
[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)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Chlorine-->Methyl acrylate
Questions And AnswerBack Directory
[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.

Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

26172-55-4(sigmaaldrich)
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