26530-20-1
Product Name:
2-Octyl-2H-isothiazol-3-one
Formula:
C11H19NOS
Synonyms:
2-Octyl-3(2H)-isothiazolone;Octhilinone
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | 2-octyl-3-isothiazolone is a clear dark amber liquid. Used as a fungicide. |
|---|---|
| Color/Form | Liquid |
| Odor | Very weak, sharp smell |
| Boiling Point | 248 °F at 0.01 mmHg (NTP, 1992) |
| Melting Point | 15 °C at 101.325 kPa |
| Flash Point | greater than 200 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
| Density | 1.04 at 60.3 °F (NTP, 1992) - Denser than water; will sink |
| Vapor Pressure | 2.98 mmHg at 77 °F (NTP, 1992) |
| LogP | log Kow = 2.45 at 24 °C |
| 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 °C; 17.94 sq mm.s at 30 °C |
| pH | pH = 3.4 |
| Kovats Retention Index | 1822.6 1849 |
| Other Experimental Properties | log Kow = 3.42 |
| Chemical Classes | Other Uses -> Biocides/Disinfectants |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Corrosion Corrosives GHS05  Skull and Crossbones Acute Toxicity GHS06  Environment GHS09 |
| GHS Hazard Statements |
H314:Skin corrosion/irritation H317:Sensitisation, Skin H330:Acute toxicity,inhalation H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 213.34 g/mol |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 7 |
| Exact Mass | 213.11873540 g/mol |
| Monoisotopic Mass | 213.11873540 g/mol |
| Topological Polar Surface Area | 45.6 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 204 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
2-octyl-3-isothiazolone is a clear dark amber liquid. Used as a fungicide.