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Key Documents

00344

Sigma-Aldrich

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:
Molecular Weight:
149.60
Beilstein/REAXYS Number:
1210149
MDL number:
UNSPSC Code:
12000000
PubChem Substance ID:

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

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

pictograms

CorrosionExclamation mark

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_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

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


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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
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
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
Wolfgang Uter et al.
Contact dermatitis, 67(3), 125-129 (2012-05-09)
The preservative methylchloroisothiazolinone (MCI)/methylisothiazo- linone (MI) is an important allergen, and has thus been subject to regulation in some areas of exposure, mainly in cosmetics. To examine whether a decline in sensitization prevalence and intensity of elicitation (by the patch
Paula Maio et al.
Cutaneous and ocular toxicology, 31(2), 151-153 (2011-11-05)
Several preservatives are currently allowed in cosmetic products in the EU. However, only a few of them are strongly represented on the market: formaldehyde, parabens, formaldehyde releasers and methylchoroisothiazolinone/methylisothiazolinone (MCI/MI). MCI/MI has been widely used during recent years for the

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