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Merck
CN

00344

5-Chloro-2-methyl-4-isothiazolin-3-one solution

~1.2% in H2O

Synonym(s):

5-Chloro-2-methyl-3(2H)-isothiazolone

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About This Item

Empirical Formula (Hill Notation):
C4H4ClNOS
CAS Number:
26172-55-4
Molecular Weight:
149.60
PubChem Substance ID:
24845010
UNSPSC Code:
12352200
Beilstein/REAXYS Number:
1210149
MDL number:
MFCD00792550

Key Documents

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Product Name

5-Chloro-2-methyl-4-isothiazolin-3-one solution, ~1.2% in H2O

SMILES string

CN1SC(Cl)=CC1=O

InChI

1S/C4H4ClNOS/c1-6-4(7)2-3(5)8-6/h2H,1H3

InChI key

DHNRXBZYEKSXIM-UHFFFAOYSA-N

concentration

~1.2% in H2O

impurities

~0.3% 2-methyl-4-isothiazolin-3-one
~1% magnesium chloride
~25% magnesium nitrate

refractive index

n20/D 1.378

mp

200-230 °C

pictograms

CorrosionExclamation mark
GHS05,GHS07

signalword

Danger

Hazard Classifications

Aquatic Chronic 3 - Eye Dam. 1 - Skin Corr. 1B - Skin Sens. 1

Storage Class

8B - Non-combustible corrosive hazardous materials

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

Regulatory Information

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Sang S Lee et al.
The Journal of dermatology, 39(8), 677-681 (2012-05-03)
As many new cosmetic products are introduced into the market, attention must be given to contact dermatitis, which is commonly caused by cosmetics. We investigate the prevalence of preservative allergy in 584 patients with suspected cosmetic contact dermatitis at 11
Michael D Lundov et al.
Contact dermatitis, 63(3), 164-167 (2010-08-10)
Methylchloroisothiazolinone/methylisothiazolinone (MCI/MI) has been one of the most frequent sensitizers since the 1980s. In 2005, the use of MI alone was approved for the preservation of cosmetic and household products in the EU. Before that, MI was used in industrial
Britta Wareing et al.
ALTEX, 37(4), 639-651 (2020-06-11)
While the skin sensitization hazard of substances can be identified using non-animal methods, the classification of potency into UN GHS sub-categories 1A and 1B remains challenging. The kinetic direct peptide reactivity assay (kDPRA) is a modification of the DPRA wherein
Eleanor Higgins et al.
Dermatitis : contact, atopic, occupational, drug, 24(2), 73-76 (2013-03-12)
The isothiazolinones methylchloroisothiazolinone and methylisothiazolinone (MCI/MI) are the active ingredients in a frequently used preservative in cosmetic, household, and industrial products. This study reviewed our department's cases of allergic contact dermatitis caused by MCI/MI, outlining their clinical presentation and possible
Juan García-Gavín et al.
Contact dermatitis, 63(2), 96-101 (2010-07-16)
A few cases on primary sensitization by, and occupational contact dermatitis from, methylisothiazolinone in paints and glues have been published. In cosmetics, methylisothiazoline (MI) is permitted in a concentration of 100 p.p.m., while 15 p.p.m. for the mixture of methylchloroisothiazolinone
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