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:
C,
N- 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
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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:
N,
C
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 .

