2682-20-4

Name 2-Methyl-4-Isothiazolin-3-one
CAS 2682-20-4
EINECS(EC#) 220-239-6
Molecular Formula C4H5NOS
MDL Number MFCD00013254
Molecular Weight 115.15
MOL File 2682-20-4.mol

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  neat
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
Contact allergens
MI is generally associated with MCI, in Kathon® CG, MCI/MI, and Euxyl® K 100. This preservative is currently used in water-based products such as cosmetics, paints, and glues. Skin contact with concentrated solution can cause severe irritant dermatitis.
InChIKey BEGLCMHJXHIJLR-UHFFFAOYSA-N
SMILES CN1SC=CC1=O
LogP -0.486 at 20℃
Uses
methylisothiazolinone is a preservative.
CAS DataBase Reference 2682-20-4(CAS DataBase Reference)
NIST Chemistry Reference 3(2H)-isothiazolone, 2-methyl-(2682-20-4)
EPA Substance Registry System 2682-20-4(EPA Substance)

Safety Data

Symbol(GHS)  Corrosion (GHS05)Skull and Crossbones (GHS06)Environment (GHS09)
GHS05,GHS06,GHS09
Signal word  Danger
Hazard statements  H301+H311-H314-H317-H330-H410
Precautionary statements  P260-P273-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
Hazard Codes  N,C
Risk Statements 
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R50:Very Toxic to aquatic organisms.
R43:May cause sensitization by skin contact.
R34:Causes burns.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
Safety Statements 
S60:This material and/or its container must be disposed of as hazardous waste .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S24:Avoid contact with skin .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
RIDADR  UN 3077 9/PG 3
WGK Germany  2
RTECS  FE1250000
TSCA  TSCA listed
REACH Registrations Active
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)

Hazard Information

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