Functional Roles
Industries Served
Physical Properties
physical_description
2-octyl-3-isothiazolone is a clear dark amber liquid. Used as a fungicide.
color/form
Light, golden yellow, clear liquid
odor
Very weak, sharp smell
boiling_point
248 u00b0F at 0.01 mmHg (NTP, 1992)
melting_point
15 u00b0C at 101.325 kPa
flash_point
greater than 200 u00b0F (NTP, 1992)
solubility
In toluene >800, ethyl acetate >900, hexane 64 (all in g/L at 25 u00b0C)
density
Relative density: 1.04 at 15 u00b0C; log Pow: 2.61 at 25 u00b0C, pH 7
vapor_pressure
3.68X10-5 mm Hg (4.9 mPa) at 25 u00b0C
logp
log Kow = 2.45 at 24 u00b0C
stability/shelf_life
Stable under recommended storage conditions.
decomposition
When heated to decomposition it emits very toxic fumes of /sulfur oxides and nitrogen oxides/.
viscosity
48.04 sq mm.s at 20 u00b0C; 17.94 sq mm.s at 30 u00b0C
ph
pH = 3.4
collision_cross_section
158.0 u00e2u201eu00abu00c2u00b2 [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID1025805]
kovats_retention_index
1822.6
other_experimental_properties
Stable to light
GHS / SDS Safety
Danger
Acute Toxic
Environmental Hazard
Irritant
Health Hazard
Corrosive
- H370: Causes damage to organs [Danger Specific target organ toxicity, single exposure]
- H302 (78.3%): Harmful if swallowed [Warning Acute toxicity, oral]
- H302: Harmful if swallowed [Warning Acute toxicity, oral]
- H330 (13.9%): Fatal if inhaled [Danger Acute toxicity, inhalation]
- H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
- H410 (> 99.9%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
- H331: Toxic if inhaled [Danger Acute toxicity, inhalation]
- H314 (> 99.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
- H311: Toxic in contact with skin [Danger Acute toxicity, dermal]
- H301 (21.7%): Toxic if swallowed [Danger Acute toxicity, oral]
- H330: Fatal if inhaled [Danger Acute toxicity, inhalation]
- H400 (> 99.9%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
- H318 (54.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
- H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
- H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]
- H331 (86.1%): Toxic if inhaled [Danger Acute toxicity, inhalation]
- H317 (> 99.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]
- H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
- H311 (> 99.9%): Toxic in contact with skin [Danger Acute toxicity, dermal]
- H372: Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]
- H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
- H301: Toxic if swallowed [Danger Acute toxicity, oral]
Chemical Identity
| CAS Number | 26530-20-1 |
| IUPAC Name | 2-octyl-1,2-thiazol-3-one |
| InChI Key | JPMIIZHYYWMHDT-UHFFFAOYSA-N |
| PubChem CID | 33528 |
| INCI Name | OCTYLISOTHIAZOLINONE |
Synonyms & Trade Names
Full Description
2-Octyl-2H-isothiazol-3-one (OIT) is an isothiazolone-based preservative and biocide with the molecular formula C11H19NOS that provides antimicrobial protection and preservation functionality. This chemical compound is utilized across coatings & construction, HI&I cleaning, oil & gas, and water treatment industries for its biocidal activity. OIT has a melting point of 15°C, making it a low-melting solid at ambient conditions, with excellent solubility in organic solvents such as toluene and ethyl acetate.