Basic information Description Uses Safety References Safety Related Supplier
2-Methyl-4-isothiazolin-3-one Structure

2-Methyl-4-isothiazolin-3-one

Chemical Properties

Melting point 254-256 °C(lit.)
Boiling point bp0.03 93°
Density  1.25 (14% aq.)
vapor pressure  <0.1 mm Hg ( 25 °C)
storage temp.  2-8°C
solubility  Chloroform, Ethyl Acetate
form  Solid
pka -2.03±0.20(Predicted)
color  Yellow
Water Solubility  489g/L at 20℃
BRN  606203
Cosmetics Ingredients Functions PRESERVATIVE
Cosmetic Ingredient Review (CIR) 2-Methyl-4-isothiazolin-3-one (2682-20-4)
InChI 1S/C4H5NOS/c1-5-4(6)2-3-7-5/h2-3H,1H3
InChIKey BEGLCMHJXHIJLR-UHFFFAOYSA-N
SMILES CN1SC=CC1=O
LogP -0.486 at 20℃
CAS DataBase Reference 2682-20-4(CAS DataBase Reference)
NIST Chemistry Reference 3(2H)-isothiazolone, 2-methyl-(2682-20-4)
EPA Substance Registry System 2-Methyl-3(2H)-isothiazolone (2682-20-4)

Safety Information

Hazard Codes  N,C,T
Risk Statements  50/53-50-43-34-20/21/22-37-23-22
Safety Statements  60-61-36/37/39-26-24-45
RIDADR  UN 3077 9/PG 3
WGK Germany  2
RTECS  FE1250000
TSCA  TSCA listed
HazardClass  8
PackingGroup  III
HS Code  29349990
Storage Class 6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials
Hazard Classifications Acute Tox. 2 Inhalation
Acute Tox. 3 Dermal
Acute Tox. 3 Oral
Aquatic Acute 1
Aquatic Chronic 1
Eye Dam. 1
Skin Corr. 1B
Skin Sens. 1A
Hazardous Substances Data 2682-20-4(Hazardous Substances Data)

MSDS

Usage And Synthesis

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