2-Octyl-4-isothiazolin-3-one (CAS 26530-20-1) — formula C11H19NOS, molecular weight 213.34; category organic chemicals.
| CAS Number | 26530-20-1 |
|---|---|
| Molecular Formula | C11H19NOS |
| Molecular Weight | 213.34 |
| Melting Point | 15 °C at 101.325 kPa |
| Boiling Point | 248 °F at 0.01 mmHg (NTP, 1992) |
| LogP | log Kow = 2.45 at 24 °C |
| Applications | Uses: Used as a preservative in polishes, paints, cleaners, adhesives, and metalworking fluids, Also used in wood and leather preservatives, [Kanerva, p. 1821], Metal Machining [Category: Heat or Machine], Painting (Pigments, Binders, and Biocides) [Category: Paint], Working with Glues and Adhesives [Category: Other], Applying Wood Preservatives [Category: Other], Using Disinfectants or Biocides [Category: Clean], Leather Tanning and Processing [Category: Industry], For octhilinone (USEPA, OPP Pesticide Code: 099901) ACTIVE products with label matches., SRP: Registered for use in the USA but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses., Control of apple and pear canker and other fungal and bacterial diseases of top fruit and citrus fruit. Also promotes rapid wound callousing of treated wounds and pruning cuts., Mildewcide, microbiocide, fungicide and bacteriocide., OIT is used to control sapstain and mold on wood via high pressure spray to logs that are processed to formulate plywood., For more Uses (Complete) data for Octhilinone (6 total), please visit the HSDB record page., Use Classification: EPA Safer Chemical Functional Use Classes -> Preservatives and Antioxidants, Safer Chemical Classes -> Yellow triangle - The chemical has met Safer Choice Criteria for its functional ingredient-class, but has some hazard profile issues, Household Products: Information on 61 consumer products that contain 2-N-octyl-4-isothiazolin-3-one in the following categories is provided:, • Auto Products, • Commercial, Institutional, • Home Maintenance, • Inside the Home, Methods of Manufacturing: Octhilinone can be prepared by reaction of dithio-N-n-dioctylpropionamide and sulfuryl chloride., Preparation: S.N. Lewis et al., France patent 1555416 corresp to United States of America patent 3761488 (1969, 1973 to Rohm & Haas)., Formulations, Preparations: The National Pesticide Information Retrieval System (NPIRS) identifies 15 companies with active labels for products containing the chemical octhilinone. To view the complete list of companies, product names and percent octhilinone in formulated products click the following url and enter the CAS Registry number in the Active Ingredient field., Arch OIT 45 (Arch Chemicals, Inc.): Active ingredient: octhilinone 46.5%., Densil ND Antimicrobial (Arch Chemicals, Inc.): Active ingredient: diuron 15.0%, zinc pyrithione 10.0%, and octhilinone 3.0%., Busan 116 (Buckman Laboratories Inc.): Active ingredient: 2-(thiocyanomethylthio)benzothiazole 10.4% and octhilinone 2.2%., For more Formulations, Preparations (Complete) data for Octhilinone (28 total), U.S. Production: 2023: <50, 000 lb, 2022: <50, 2021: <50, 2020: <50, General Manufacturing Information: 3(2H)-Isothiazolone, 2-octyl-: ACTIVE |
| Category | Organic Chemicals |
Documented applications: Uses: Used as a preservative in polishes, paints, cleaners, adhesives, and metalworking fluids, Also used in wood and leather preservatives, [Kanerva, p. 1821], Metal Machining [Category: Heat or Machine], Painting (Pigments, Binders, and Biocides) [Category: Paint], Working with Glues and Adhesives [Category: Other], Applying Wood Preservatives [Category: Other], Using Disinfectants or Biocides [Category: Clean], Leather Tanning and Processing [Category: Industry], For octhilinone (USEPA, OPP Pesticide Code: 099901) ACTIVE products with label matches., SRP: Registered for use in the USA but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses., Control of apple and pear canker and other fungal and bacterial diseases of top fruit and citrus fruit. Also promotes rapid wound callousing of treated wounds and pruning cuts., Mildewcide, microbiocide, fungicide and bacteriocide., OIT is used to control sapstain and mold on wood via high pressure spray to logs that are processed to formulate plywood., For more Uses (Complete) data for Octhilinone (6 total), please visit the HSDB record page., Use Classification: EPA Safer Chemical Functional Use Classes -> Preservatives and Antioxidants, Safer Chemical Classes -> Yellow triangle - The chemical has met Safer Choice Criteria for its functional ingredient-class, but has some hazard profile issues, Household Products: Information on 61 consumer products that contain 2-N-octyl-4-isothiazolin-3-one in the following categories is provided:, • Auto Products, • Commercial, Institutional, • Home Maintenance, • Inside the Home, Methods of Manufacturing: Octhilinone can be prepared by reaction of dithio-N-n-dioctylpropionamide and sulfuryl chloride., Preparation: S.N. Lewis et al., France patent 1555416 corresp to United States of America patent 3761488 (1969, 1973 to Rohm & Haas)., Formulations, Preparations: The National Pesticide Information Retrieval System (NPIRS) identifies 15 companies with active labels for products containing the chemical octhilinone. To view the complete list of companies, product names and percent octhilinone in formulated products click the following url and enter the CAS Registry number in the Active Ingredient field., Arch OIT 45 (Arch Chemicals, Inc.): Active ingredient: octhilinone 46.5%., Densil ND Antimicrobial (Arch Chemicals, Inc.): Active ingredient: diuron 15.0%, zinc pyrithione 10.0%, and octhilinone 3.0%., Busan 116 (Buckman Laboratories Inc.): Active ingredient: 2-(thiocyanomethylthio)benzothiazole 10.4% and octhilinone 2.2%., For more Formulations, Preparations (Complete) data for Octhilinone (28 total), U.S. Production: 2023: <50, 000 lb, 2022: <50, 2021: <50, 2020: <50, General Manufacturing Information: 3(2H)-Isothiazolone, 2-octyl-: ACTIVE.
2-Octyl-4-isothiazolin-3-one is a carbon-based organic compound with CAS registry number 26530-20-1 and molecular formula C11H19NOS (molecular weight 213.34), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 26530-20-1
Its molecular formula C11H19NOS comprises 11 C, 19 H, 1 N, 1 O, 1 S atoms.
Also known as: 2-Octyl-4-isothiazolin-3-one
Category: organic chemicals
The CAS registry number of 2-Octyl-4-isothiazolin-3-one is 26530-20-1.
Molecular formula C11H19NOS, molecular weight 213.34.
It is also registered under: 2-Octyl-4-isothiazolin-3-one.
Recorded applications: Uses: Used as a preservative in polishes, paints, cleaners, adhesives, and metalworking fluids, Also used in wood and leather preservatives, [Kanerva, p. 1821], Metal Machining [Category: Heat or Machine], Painting (Pigments, Binders, and Biocides) [Category: Paint], Working with Glues and Adhesives [Category: Other], Applying Wood Preservatives [Category: Other], Using Disinfectants or Biocides [Category: Clean], Leather Tanning and Processing [Category: Industry], For octhilinone (USEPA, OPP Pesticide Code: 099901) ACTIVE products with label matches., SRP: Registered for use in the USA but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses., Control of apple and pear canker and other fungal and bacterial diseases of top fruit and citrus fruit. Also promotes rapid wound callousing of treated wounds and pruning cuts., Mildewcide, microbiocide, fungicide and bacteriocide., OIT is used to control sapstain and mold on wood via high pressure spray to logs that are processed to formulate plywood., For more Uses (Complete) data for Octhilinone (6 total), please visit the HSDB record page., Use Classification: EPA Safer Chemical Functional Use Classes -> Preservatives and Antioxidants, Safer Chemical Classes -> Yellow triangle - The chemical has met Safer Choice Criteria for its functional ingredient-class, but has some hazard profile issues, Household Products: Information on 61 consumer products that contain 2-N-octyl-4-isothiazolin-3-one in the following categories is provided:, • Auto Products, • Commercial, Institutional, • Home Maintenance, • Inside the Home, Methods of Manufacturing: Octhilinone can be prepared by reaction of dithio-N-n-dioctylpropionamide and sulfuryl chloride., Preparation: S.N. Lewis et al., France patent 1555416 corresp to United States of America patent 3761488 (1969, 1973 to Rohm & Haas)., Formulations, Preparations: The National Pesticide Information Retrieval System (NPIRS) identifies 15 companies with active labels for products containing the chemical octhilinone. To view the complete list of companies, product names and percent octhilinone in formulated products click the following url and enter the CAS Registry number in the Active Ingredient field., Arch OIT 45 (Arch Chemicals, Inc.): Active ingredient: octhilinone 46.5%., Densil ND Antimicrobial (Arch Chemicals, Inc.): Active ingredient: diuron 15.0%, zinc pyrithione 10.0%, and octhilinone 3.0%., Busan 116 (Buckman Laboratories Inc.): Active ingredient: 2-(thiocyanomethylthio)benzothiazole 10.4% and octhilinone 2.2%., For more Formulations, Preparations (Complete) data for Octhilinone (28 total), U.S. Production: 2023: <50, 000 lb, 2022: <50, 2021: <50, 2020: <50, General Manufacturing Information: 3(2H)-Isothiazolone, 2-octyl-: ACTIVE.
Category: Organic Chemicals.
Independent reference data for 2-Octyl-4-isothiazolin-3-one (CAS 26530-20-1), compiled from public chemistry databases.
| CAS Registry Number | 26530-20-1 |
|---|---|
| PubChem CID | 33528 |
| Molecular formula | C11H19NOS |
| IUPAC name | 2-octyl-1,2-thiazol-3-one |
| UNII (FDA) | 4LFS24GD0V |
| Molecular Weight | 213.34 |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 7 |
| Exact Mass | 213.11873540 |
| Monoisotopic Mass | 213.11873540 |
| Topological Polar Surface Area | 45.6 |
| Heavy Atom Count | 14 |
| Boiling Point | 248 °F at 0.01 mmHg (NTP, 1992) |
|---|---|
| Boiling Point | BP: 120 °C at 0.01 mm Hg |
| Melting Point | 15 °C at 101.325 kPa |
| Density | 1.03 |
| Vapor Pressure | 2.98 mmHg at 77 °F (NTP, 1992) |
| Vapor Pressure | 0.0000368 [mmHg] |
| Vapor Pressure | 3.68X10-5 mm Hg (4.9 mPa) at 25 °C |
| LogP | log Kow = 2.45 at 24 °C |
| LogP | 2.45 |
| Viscosity | 48.04 sq mm.s at 20 °C; 17.94 sq mm.s at 30 °C |
Octhilinone; 26530-20-1; 2-n-Octyl-4-isothiazolin-3-one; 2-Octyl-4-isothiazolin-3-one; Pancil; 2-Octyl-2H-isothiazol-3-one; 2-Octyl-3-isothiazolone; 2-Octyl-3(2H)-isothiazolone; Skane 8; Micro-chek skane; 3(2H)-Isothiazolone, 2-octyl-; Pancil-T; Kathon LM; Microbicide M-8; Micro-chek 11; Micro-chek 11D
| Regulatory & Food Contact | FDA Inventory of Effective Food Contact Substance (FCS) Noti: FCS 2-n-octyl-4-isothiazolin-3-one(OIT) (CAS Reg. No. 26530-20-1) The FCS is intended for use as an antimicrobial active ingredient of industrial technical formulations for use 2-n-octyl-4-isothiazolin-3-one (CAS Reg. No. 26530-20-1) |
|---|---|
| GHS notification summary | 0.1% (1 / 1404) |
| GHS notification summary | 0.1% (1 / 1404) |
|---|---|
| Reported hazard statements | H301, H311, H314, H317, H318, H330, H400, H410 |
H301: Toxic if swallowed [Danger Acute toxicity, oral]
H311: Toxic in contact with skin [Danger Acute toxicity, dermal]
N-Octyl-4-isothiazolin-3-one · CAS 26530-20-1 · C11H19NOS. UNII 4LFS24GD0V. Boiling Point: 248 °F at 0.01 mmHg (NTP, 1992); Boiling Point: BP: 120 °C at 0.01 mm Hg; Melting Point: 15 °C at 101.325 kPa.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.