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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:
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

Signal Word

Danger

Hazard Statements

Hazard Classifications

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

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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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
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
Julien Mutschler et al.
Toxicology in vitro : an international journal published in association with BIBRA, 23(3), 439-446 (2009-05-16)
Assessment of skin sensitization hazard of chemicals currently depends on in vivo methods. Considering the forthcoming European Union ban on in vivo testing of cosmetic/toiletry ingredients, the search for alternative non-animal approaches is an urgent challenge for investigators today. For
Leena Ackermann et al.
Contact dermatitis, 64(1), 49-53 (2010-12-21)
Antimicrobials constitute the second most common cause of contact allergy to cosmetics. Methylisothiazolinone (MI), previously always used together with methylchloroisothiazolinone (MCI), has recently been approved in the EU for use on its own in cosmetics and also various industrial products.

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