Description

2-Methyl-4,5-trimethylene-4-isothiazolin-3-one (CAS No. 82633-79-2) is a high-purity heterocyclic organic compound with the molecular formula C₇H₉NOS. Also known by its IUPAC name 2-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]thiazol-3-one, this specialized chemical is widely utilized as an antimicrobial agent in industrial and research applications. The product is supplied as a stable solid with consistent batch-to-batch quality, ideal for formulation studies and material preservation. Its unique cyclopentane-fused isothiazolone structure provides enhanced reactivity compared to simpler isothiazolinone derivatives. Suitable for use in analytical standards, biocidal formulations, and organic synthesis, this compound is handled in controlled environments to ensure optimal purity (>95% by HPLC).

Key Features:

• CAS: 82633-79-2
• Molecular Weight: 155.22 g/mol
• Synonyms: Promexal, UNII-H857315VPU
• Storage: Room temperature, desiccated
• Hazard Codes: Corrosive, Toxic

Properties

• CAS Number: 82633-79-2
• Complexity: 222
• IUPAC Name: 2-methyl-5,6-dihydro-4H-cyclopenta[d]isothiazol-3-one
• InChI: InChI=1S/C7H9NOS/c1-8-7(9)5-3-2-4-6(5)10-8/h2-4H2,1H3
• InChI Key: PZOGAKOZVSTZSO-UHFFFAOYSA-N
• Exact Mass: 155.04048508
• Molecular Formula: C7H9NOS
• Molecular Weight: 155.22
• SMILES: CN1C(=O)C2=C(S1)CCC2
• Topological: 45.6
• Monoisotopic Mass: 155.04048508
• Synonyms: Promexal, 82633-79-2, 2-Methyl-4,5-trimethylene-4-isothiazolin-3-one, UNII-H857315VPU, H857315VPU, PROMEXAL W 50, DTXSID6032433, EC 407-630-9, 4,5-trimethylene-2-methyl-3-isothiazolone, METHYL-4,5-TRIMETHYLENE-4-ISOTHIAZOLIN-3-ONE, 2-, 2-MTI, DTXCID4012433, 2-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]thiazol-3-one, 2-methyl-4,5-trimethylene-4-isothiazoline-3-one, SCHEMBL124057, 2-methyl-2H,3H,4H,5H,6H-cyclopenta[d][1,2]thiazol-3-one, 2-methyl-5,6-dihydro-2H-cyclopenta[d]isothiazol-3(4H)-one, 2H-Cyclopent(d)isothiazol-3(4H)-one, 5,6-dihydro-2-methyl-, AKOS006279795, NS00009272, 2-methyl-4,5-trimethylen-4-isothiazolin-3-on, EN300-3471783, Q27279753, 2,3,5,6-Tetrahydro-2-methyl-2H-cyclopenta(d)-1,2-thiazol-3-one

Application

2-Methyl-4,5-trimethylene-4-isothiazolin-3-one serves as an effective biocide in industrial water treatment systems, inhibiting microbial growth in cooling towers and paper mill process waters. The compound demonstrates particular efficacy against sulfate-reducing bacteria in oilfield applications. Researchers employ it as a model isothiazolinone derivative for studying structure-activity relationships in antimicrobial compounds. In material science, it’s incorporated into polymer coatings and adhesives as a preservative against fungal degradation.

Safety and Hazards

GHS Hazard Statements

• H301: Toxic if swallowed [Danger Acute toxicity, oral]
• H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
• H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
• H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P261, P264, P264+P265, P270, P272, P273, P280, P301+P316, P302+P352, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, P391, P405, and P501

Hazard Classes and Categories

• Acute toxicity – category 3
• Eye damage – category 1
• Skin sensitisation – category 1
• Hazardous to the aquatic environment – category 1
• Hazardous to the aquatic environment – category 1

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