Basic information Safety Supplier Related

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

Basic information Safety Supplier Related

2-Octyl-2H-isothiazol-3-one Basic information

Product Name:
2-Octyl-2H-isothiazol-3-one
Synonyms:
  • 2-octyl-3(2h)-isothiazolon
  • 2-octyl-3-isothiazolone
  • 2-octyl-4-isothiazolin-3-on
  • 5-CHLORO-2-METHYL-ISOTHIAZOL-3-ONE/2-METHYL-ISOTHIAZOL-3-ONE
  • 2-N-OCTYL-4-ISOTHIAZOLIN-3-ONE
  • 2-OCTYL-4-ISOTHIAZOLIN-3-ONE
  • 2-Octyl-2H-isothiazol-3-one
  • 2-OCTYL-3(2H)-ISOTHIAZOLONE
CAS:
26530-20-1
MF:
C11H19NOS
MW:
213.34
EINECS:
247-761-7
Product Categories:
  • Preservative
  • Industrial/Fine Chemicals
  • Heterocyclic Compounds
  • Heterocycles
  • Intermediates & Fine Chemicals
  • Pharmaceuticals
Mol File:
26530-20-1.mol
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2-Octyl-2H-isothiazol-3-one Chemical Properties

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)
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.
InChIKey
JPMIIZHYYWMHDT-UHFFFAOYSA-N
LogP
2.61 at 25℃
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)
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Safety Information

Hazard Codes 
T;N,N,T
Risk Statements 
22-23/24-34-43-50/53
Safety Statements 
1/2-26-36/37/39-45-60-61
RIDADR 
2922
WGK Germany 
3
RTECS 
NX8156900
HazardClass 
8
PackingGroup 
III
HS Code 
29341000
Hazardous Substances Data
26530-20-1(Hazardous Substances Data)
Toxicity
LD50 orl-rat: 550 mg/kg MosJN# 15AUG79

MSDS

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2-Octyl-2H-isothiazol-3-one Usage And Synthesis

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.

Uses

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

Uses

Fungicide. Antimicrobial agent

Uses

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.

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