26172-55-4

Name 5-Chloro-2-methyl-4-isothiazolin-3-one
CAS 26172-55-4
EINECS(EC#) 247-500-7
Molecular Formula C4H4ClNOS
MDL Number MFCD00792550
Molecular Weight 149.6
MOL File 26172-55-4.mol
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Chemical Properties

Appearance Liquid
Melting point  42-45?C
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.
Usage Isocil(R) RW is a high performance industrial microbiocide for use in recirculating water cooling towers, wood, mold and mildew control, pulp and paper mills, air washer systems. Suggested applications: Industrial water treatment. Very low use levels.
Major Application pharmaceutical (small molecule)
Cosmetics Ingredients Functions PRESERVATIVE
InChI InChI=1S/C4H4ClNOS/c1-6-4(7)2-3(5)8-6/h2H,1H3
Contact allergens
MCI is mainly associated with methylisothiazolinone for its bactericidal and fongistatic properties. It is found in Kathon® CG or derivatives. MCI is found in water-based products such as cosmetics, paints, and glues. Pure MCI is highly irritant and may cause active sensitization
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 26172-55-4(EPA Substance)
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Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H317-H319-H412
Precautionary statements  P261-P264-P273-P280-P302+P352-P305+P351+P338
Hazard Codes  C,N,T
Risk Statements 
R34:Causes burns.
R43:May cause sensitization by skin contact.
R50:Very Toxic to aquatic organisms.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
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 .
S24:Avoid contact with skin .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
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)

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