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Basic information

  • Name:
  • 2-Methyl-4-Isothiazolin-3-one

  • CAS No.:
  • 2682-20-4

  • Molecular Structure:
  • Formula:
  • C4H5NOS
  • Molecular Weight:
  • 115.15 .
  • Deleted CAS:
  • 125794-71-0|184720-17-0
  • Synonyms:
  • 4-Isothiazolin-3-one,2-methyl- (7CI,8CI);2-Methyl-2H-isothiazol-3-one;2-Methyl-3(2H)-isothiazolone;2-Methyl-3-isothiazolone;2-Methyl-4-isothiazol-3-one;Methylisothiazolinone;2-Methyl-4-isothiazoline-3-one;3(2H)-Isothiazolone,2-methyl-;KathonCG 243;Kordek 50;Kordek 50C;Kordek MLX;N-Methylisothiazolin-3-one;N-Methylisothiazolone;Neolone;Neolone 950;NeoloneCapG;Neolone M 10;Neolone M 50;Neolone PE;Optiphen MIT;ProClin 150;ProClin 950;SPX;Zonen MT;
  • EINECS:
  • 220-239-6
  • Density:
  • 1.293 g/cm3
  • Melting Point:
  • 254-256 °C(lit.)
  • Boiling Point:
  • 182.8 °C at 760 mmHg
  • Flash Point:
  • 64.3 °C
  • Hazard Symbols:
  • CorrosiveC, DangerousN
  • Risk Codes:
  • 50/53-50-43-34-20/21/22
  • Safety Description:
  • 60-61-36/37/39-26-24-45 Details
  • Transport Information:
  • UN 3077 9/PG 3

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Chemistry


IUPAC Name: 2-Methyl-1,2-thiazol-3-one
Molecular Formula: C4H5NOS
Molecular Weight: 115.15 g/mol
SMILES: c1(n(scc1)C)=O
InChI: InChI=1/C4H5NOS/c1-5-4(6)2-3-7-5/h2-3H,1H3
EINECS: 220-239-6
Classification Code: Anti-infective agents; Disinfectants; TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]; TSCA Flag S [Substance is identified in a proposed or final SNUR (Significant New Use Rule) under TSCA]
Product Categories: Industrial / Fine Chemicals; Heterocyclic Compounds
Index of Refraction: 1.588 
Molar Refractivity: 30 cm3 
Molar Volume: 89 cm3
Polarizability: 11.89×10-24 cm3 
Surface Tension: 46.1 dyne/cm 
Density: 1.293 g/cm3 
Flash Point: 64.3 °C 
Enthalpy of Vaporization: 41.9 kJ/mol 
Boiling Point: 182.8 °C at 760 mmHg 
Melting Point: 254-256 °C(lit.)
Vapour Pressure of Methylisothiazolinone (CAS NO.2682-20-4): 0.797 mmHg at 25 °C

Uses

 Methylisothiazolinone (CAS NO.2682-20-4) is a powerful biocide and preservative within the group of isothiazolinones, used in shampoos and body care products.

Consensus Reports

EPA FIFRA 1988 pesticide subject to registration or re-registration.

Safety Profile

Hazard Codes: DangerousN,CorrosiveC
Risk Statements: 50/53-50-43-34-20/21/22 
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: 60-61-36/37/39-26-24-45 
S60:This material and its container must be disposed of as hazardous waste. 
S61:Avoid release to the environment. Refer to special instructions / safety data sheets. 
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. 
S25:Avoid contact with eyes.
RIDADR: UN 3077 9/PG 3
WGK Germany: 2
RTECS: FE1250000
HazardClass: 8
PackingGroup of Methylisothiazolinone (CAS NO.2682-20-4): III

Specification

 Methylisothiazolinone (CAS NO.2682-20-4), its Synonyms are 2-Methyl-3(2H)-isothiazolone ; 2-Methyl-4-isothiazolin-3-one ; 3(2H)-Isothiazolone, 2-methyl- ; 2-Methyl-4-isothiazolin-3-one calcium chloride .

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