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Chemical Identity
IUPAC Name: 2-Methyl-1,2-thiazol-3(2H)-one
CAS Number: 2682-20-4
Molecular Formula: C₄H₅NOS
Molecular Weight: 115.1 g/mol
SMILES Notation: O=C1/C=CSN1C
InChI Key: BEGLCMHJXHIJLR-UHFFFAOYSA-N
EINECS Number: 220-239-6
PubChem CID: 39800
ChEMBL ID: 1620780
Beilstein Reference: 606203
2-methyl-2H-isothiazol-3-one is known by several other names, including:
2-Methyl-4-isothiazolin-3-one,3(2H)-Isothiazolone, 2-methyl-
Methylisothiazolinone (MIT),Methyl-4-isothiazolin-3-one,Neolone M,Kathon CG,ProClin 150
Neolone PE,Zonen MT,UNII-229D0E1QFA,CHEBI:53620,ChEMBL1620780
Chemical Structure
The structure of 2-methyl-2H-isothiazol-3-one consists of a five-membered isothiazole ring with a methyl group attached to the nitrogen atom and a carbonyl group at the 3-position.
Physical and Chemical Properties
Appearance: White solid
Boiling Point: Not available
Melting Point: Not available
Solubility: Soluble in water
LogP: 0.0824
Density: Not available
Vapor Pressure: Not available
Applications
2-methyl-2H-isothiazol-3-one is primarily used as a biocide and preservative in various industries:
Cosmetics and Personal Care Products: As a preservative to prevent microbial growth in products like shampoos, lotions, and creams.
Industrial Applications: In paints, adhesives, and coatings to inhibit bacterial and fungal growth.
Water Treatment: Used in cooling towers and industrial water systems to control microbial contamination.
Household Products: Found in cleaning agents and detergents for its antimicrobial properties.
guidelines.
Regulatory Status
The use of 2-methyl-2H-isothiazol-3-one is subject to various regulations worldwide:
European Union: Classified as a hazardous substance under REACH regulations.
United States: Regulated by the Environmental Protection Agency (EPA) for use in industrial applications.
Australia: Assessed by the Industrial Chemicals Introduction Scheme (ICIS) for environmental and health impacts.
Manufacturers and users must comply with local regulations regarding the use, handling, and disposal of 2-methyl-2H-isothiazol-3-one.
Recent Research and Developments
Recent studies have focused on the safety and environmental impact of 2-methyl-2H-isothiazol-3-one:
Skin Sensitization: Research indicates that 2-methyl-2H-isothiazol-3-one is a potent skin sensitizer, leading to allergic reactions upon exposure.
Environmental Assessments: Studies have highlighted the compound's high toxicity to aquatic organisms, prompting regulatory reviews and recommendations for safer alternatives.
Ongoing research aims to develop safer and more environmentally friendly alternatives to 2-methyl-2H-isothiazol-3-one in industrial and consumer products.
2-methyl-2H-isothiazol-3-one is a widely used biocide and preservative with significant antimicrobial properties.
However, its toxicity and environmental impact necessitate careful handling and consideration of alternative substances.
Regulatory agencies continue to monitor its use to ensure public and environmental safety.
SAFETY INFORMATION ABOUT 2-METHYL-2H-ISOTHIAZOL-3-ONE
First aid measures:
Description of first aid measures:
General advice:
Consult a physician.
Show this safety data sheet to the doctor in attendance.
Move out of dangerous area:
If inhaled:
If breathed in, move person into fresh air.
If not breathing, give artificial respiration.
Consult a physician.
In case of skin contact:
Take off contaminated clothing and shoes immediately.
Wash off with soap and plenty of water.
Consult a physician.
In case of eye contact:
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
Continue rinsing eyes during transport to hospital.
If swallowed:
Do NOT induce vomiting.
Never give anything by mouth to an unconscious person.
Rinse mouth with water.
Consult a physician.
Firefighting measures:
Extinguishing media:
Suitable extinguishing media:
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides, Nitrogen oxides (NOx), Hydrogen chloride gas
Advice for firefighters:
Wear self-contained breathing apparatus for firefighting if necessary.
Accidental release measures:
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment.
Avoid breathing vapours, mist or gas.
Evacuate personnel to safe areas.
Environmental precautions:
Prevent further leakage or spillage if safe to do so.
Do not let product enter drains.
Discharge into the environment must be avoided.
Methods and materials for containment and cleaning up:
Soak up with inert absorbent material and dispose of as hazardous waste.
Keep in suitable, closed containers for disposal.
Handling and storage:
Precautions for safe handling:
Avoid inhalation of vapour or mist.
Conditions for safe storage, including any incompatibilities:
Keep container tightly closed in a dry and well-ventilated place.
Containers which are opened must be carefully resealed and kept upright to prevent leakage.
Storage class (TRGS 510): 8A: Combustible, corrosive hazardous materials
Exposure controls/personal protection:
Control parameters:
Components with workplace control parameters
Contains no substances with occupational exposure limit values.
Exposure controls:
Appropriate engineering controls:
Handle in accordance with good industrial hygiene and safety practice.
Wash hands before breaks and at the end of workday.
Personal protective equipment:
Eye/face protection:
Tightly fitting safety goggles.
Faceshield (8-inch minimum).
Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection:
Handle with gloves.
Gloves must be inspected prior to use.
Use proper glove
removal technique (without touching glove's outer surface) to avoid skin contact with this product.
Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
Full contact:
Material: Nitrile rubber
Minimum layer thickness: 0.11 mm
Break through time: 480 min
Material tested:Dermatril (KCL 740 / Aldrich Z677272, Size M)
Splash contact
Material: Nitrile rubber
Minimum layer thickness: 0.11 mm
Break through time: 480 min
Material tested:Dermatril (KCL 740 / Aldrich Z677272, Size M)
It should not be construed as offering an approval for any specific use scenario.
Body Protection:
Complete suit protecting against chemicals, The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection:
Where risk assessment shows air-purifying respirators are appropriate use a fullface respirator with multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup to engineering controls.
If the respirator is the sole means of protection, use a full-face supplied air respirator.
Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU).
Control of environmental exposure
Prevent further leakage or spillage if safe to do so.
Do not let product enter drains.
Discharge into the environment must be avoided.
Stability and reactivity:
Chemical stability:
Stable under recommended storage conditions.
Incompatible materials:
Strong oxidizing agents:
Hazardous decomposition products:
Hazardous decomposition products formed under fire conditions.
Carbon oxides, Nitrogen oxides (NOx), Hydrogen chloride gas.
Disposal considerations:
Waste treatment methods:
Product:
Offer surplus and non-recyclable solutions to a licensed disposal company.
Contact a licensed professional waste disposal service to dispose of this material.
Contaminated packaging:
Dispose of as unused product
