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

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)

Safety

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

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Danger

Hazard statements

H314Causes severe skin burns and eye damage

H317May cause an allergic skin reaction

H330Fatal if inhaled

H410Very toxic to aquatic life with long lasting effects

Precautionary statements

P260Do not breathe dust/fume/gas/mist/vapours/spray.

P273Avoid release to the environment.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

2-Octyl-2H-isothiazol-3-one Chemical Properties,Usage,Production

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.