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HomeProduct name list2-Octyl-2H-isothiazol-3-one

2-Octyl-2H-isothiazol-3-one

Synonym(s):2-Octyl-3(2H)-isothiazolone;Octhilinone

  • CAS NO.:26530-20-1
  • Empirical Formula: C11H19NOS
  • Molecular Weight: 213.34
  • MDL number: MFCD00072473
  • EINECS: 247-761-7
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-10-31 13:32:20
2-Octyl-2H-isothiazol-3-one Structural

What is 2-Octyl-2H-isothiazol-3-one?

Description

This isothiazolione, octylisothiazolinone, is contained in relatively fewer products than other isothiazolinones.

Chemical properties

Light Yellow Oil

Chemical properties

Yellow solid or clear dark amber liquid.

The Uses of 2-Octyl-2H-isothiazol-3-one

Fungicide. Antimicrobial agent

The Uses of 2-Octyl-2H-isothiazol-3-one

Fungicide. Biocide in cooling-tower water, paints, cutting oils, cosmetics and shampoo; for leather preservation.

The Uses of 2-Octyl-2H-isothiazol-3-one

2-n-Octyl-4-isothiazolin-3-one is a mildeweide; bactericide; fungicide; biocide in cooling-tower water; in paints, cutting oils, cosmetics, and shampoos; leather preservation; wound protectant for pruning cuts.

Definition

ChEBI: A member of the class of 1,2-thiazole that is 1,2-thiazol-3-one substituted on the nitrogen (position 2) by an octyl group. A fungicide and antibacterial agent, it is used for treatment of canker and other fungal and bacterial diseases in fruit trees. It i no longer approved for use within the European Union.

General Description

Clear dark amber liquid. Used as a fungicide.

Air & Water Reactions

Insoluble in water.

Reactivity Profile

2-Octyl-2H-isothiazol-3-one reacts as an isothiocyanate. Isothiocyanates are incompatible with many classes of compounds, reacting exothermically to release toxic gases. Reactions with amines, aldehydes, alcohols, alkali metals, ketones, mercaptans, strong oxidizers, hydrides, phenols, and peroxides can cause vigorous releases of heat.

Fire Hazard

2-Octyl-2H-isothiazol-3-one is probably combustible.

Flammability and Explosibility

Non flammable

Contact allergens

This isothiazolinone, contained in relatively few products compared to other isothiazolinones, is used in cleaning and polishing agents, latex paints, stains, adhesives, wood and leather preservatives, metalworking fluids (cutting oils), and plastic manufacture.

Safety Profile

Moderately toxic by ingestion and skin contact. A skin and severe eye irritant. A rmldewcide. When heated to decomposition it emits very toxic fumes of SOx and NOx. See also KETONES.

Potential Exposure

Isothiazolone/isothiocyanate/heteroaramatic fungicide and microbiocide used on textiles, in metalworking fluids, and some water thinned paints. Its use as a fungicide on cotton was canceled in the United States and the tolerances were revoked in 1998.

Shipping

UN2922 Corrosive liquids, toxic, n.o.s., Hazard class: 8; Labels: 8-Corrosive material, 6.1-Poisonous materials.

Incompatibilities

Oxidizers. Contact with hydrogen peroxide may form explosive material. Isothiocyanates are incompatible with many classes of compounds, reacting exothermically to release toxic gases. Reactions with amines, aldehydes, alcohols, alkali metals, ketones, mercaptans, strong oxidizers, hydrides, phenols, and peroxides can cause vigorous releases of heat. Ketones behave a weak acid. Forms water soluble alkali metal salts. Ketones are reactive with many acids and bases liberating heat and flammable gases. The amount of heat may be sufficient to start a fire in the unreacted portion of the ketone. Ketones react with reducing agents such as hydrides, alkali metals, and nitrides to produce flammable hydrogen gas and heat. Ketones are incompatible with isocyanates, aldehydes, cyanides, peroxides, and anhydrides. They react violently with aldehydes, nitric acid, and perchloric acid.

Waste Disposal

Consult with environmental regulatory agencies for guidance on acceptable disposal practices. Generators of waste containing this contaminant (≥100 kg/mo) must conform with EPA regulations governing storage, transportation, treatment, and waste disposal. Under 40 CFR 261.5 small quantity generators of this waste may qualify for partial exclusion from hazardous waste regulations.

Properties of 2-Octyl-2H-isothiazol-3-one

Melting point: <25 °C
Boiling point: 120°C
Density  1.04
vapor pressure  4.9hPa at 25℃
refractive index  1.5500 (estimate)
Flash point: 23℃
storage temp.  Sealed in dry,2-8°C
solubility  Chloroform (Slightly), Ethyl Acetate (Slightly)
pka -2.04±0.20(Predicted)
form  neat
color  White or Colorless to Yellow
Water Solubility  <0.1 g/100 mL at 19 ºC
Merck  14,6755
BRN  1211137
Stability: Stable. Incompatible with strong oxidizing agents.
CAS DataBase Reference 26530-20-1(CAS DataBase Reference)
NIST Chemistry Reference 3(2H)-isothiazolone, 2-octyl-(26530-20-1)
EPA Substance Registry System Octhilinone (26530-20-1)

Safety information for 2-Octyl-2H-isothiazol-3-one

Signal word Danger
Pictogram(s)
ghs
Corrosion
Corrosives
GHS05
ghs
Skull and Crossbones
Acute Toxicity
GHS06
ghs
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 for 2-Octyl-2H-isothiazol-3-one

InChIKey JPMIIZHYYWMHDT-UHFFFAOYSA-N

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