IUPAC Name: 2-Octyl-1,2-thiazol-3-one
Synonyms of 2-Octyl-2H-isothiazol-3-one (CAS NO.26530-20-1): 2-Octyl-3(2H)-isothiazolone ; 2-Octyl-4-isothiazolin-3-one ; 2-n-Octyl-4-isothiazolin-3-one ; Kathon LP preservative ; Micro-chek skane ; Octhilinone ; 4-Isothiazolin-3-one, 2-octyl-
CAS NO: 26530-20-1
Molecular Formula: C₁₁H₁₉NOS
Molecular Weight: 213.34
Molecular Structure:
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 7
Polar Surface Area: 45.61 Å²
Index of Refraction: 1.519
Molar Refractivity: 62.42 cm³
Molar Volume: 205.6 cm³
Surface Tension: 38.5 dyne/cm
Density: 1.037 g/cm³
Flash Point: 137.9 °C
Enthalpy of Vaporization: 54.49 kJ/mol
Boiling Point: 304.5 °C at 760 mmHg
Vapour Pressure: 0.000872 mmHg at 25°C
Water Solubility <0.1 g/100 mL at 19 ºC
Stability: Stable. Incompatible with strong oxidizing agents.
Appearance: Light Yellow Oil
Water solubility: Insoluble in water.
SMILES: O=C1/C=C\SN1CCCCCCCC
InChI: InChI=1/C11H19NOS/c1-2-3-4-5-6-7-9-12-11(13)8-10-14-12/h8,10H,2-7,9H2,1H3
InChIKey: JPMIIZHYYWMHDT-UHFFFAOYAE
Std. InChI: InChI=1S/C11H19NOS/c1-2-3-4-5-6-7-9-12-11(13)8-10-14-12/h8,10H,2-7,9H2,1H3
Std. InChIKey: JPMIIZHYYWMHDT-UHFFFAOYSA-N
Product Categories of 2-Octyl-2H-isothiazol-3-one (CAS NO.26530-20-1): Industrial/Fine Chemicals;Heterocyclic Compounds;Heterocycles;Intermediates & Fine Chemicals;Pharmaceuticals

 2-Octyl-2H-isothiazol-3-one (CAS NO.26530-20-1) is used as fungicide and antimicrobial agent.

Reported in EPA TSCA Inventory.

Hazard Codes: TN
Risk Statements: 22-23/24-34-43-50/53
R22: Harmful if swallowed. 
R23/25: Toxic by inhalation and if swallowed. 
R34: Causes burns. 
R43: May cause sensitization by skin contact. 
R50/53: Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 1/2-26-36/37/39-45-60-61
S1/2: Keep locked up and out of the reach of children. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. 
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 
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.
RIDADR: 2922
RTECS: NX8156900
HazardClass: 8
PackingGroup: III
Moderately toxic by ingestion and skin contact. A skin and severe eye irritant. A mildewcide. When heated to decomposition it emits very toxic fumes of SO_x and NO_x. See also KETONES.

DFG MAK: 0.05 mg/m³

 2-Octyl-2H-isothiazol-3-one (CAS NO.26530-20-1) reacts as an isothiocyanate. Reactions with amines, aldehydes, alcohols, alkali metals, ketones, mercaptans, strong oxidizers, hydrides, phenols, and peroxides can cause vigorous releases of heat.