Basic information Description Applications Safety Information Safety Related Supplier
5-Chloro-2-methyl-4-isothiazolin-3-one Structure

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

Chemical Properties

Melting point 42-45C
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.
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
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 5-Chloro-2-methyl-4-isothiazolin-3-one (26172-55-4)

Safety Information

Hazard Codes  C,N,T,Xn
Risk Statements  34-43-50-20/21/22-50/53-23/24/25-42/43
Safety Statements  26-36/37/39-45-60-61-24-28-36/37-23
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)

MSDS

Usage And Synthesis

Preparation Products And Raw materials

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