2-OCTYL-ISOTHIAZOLONE

PRODUCT IDENTIFICATION

CAS NO.

26530-20-1

2-OCTYL-ISOTHIAZOLONE

EINECS NO. 247-761-7
FORMULA C11H19NOS
MOL WT. 213.34

H.S. CODE

2934.10.7000

TOXICITY

LD50 Oral - rat - 550 mg/kg

SYNONYMS

2,3-Octylisothiazolone; 2-Octyl-4-isothiazolin-3-one;

Octhilinone; 2-Octyl-3(2H)-isothiazolone;  2-n-Octyl-4-isothiazolin-3-one; Kathon 893; Kathon LM;  2-Octyl-2H-isothiazol-3-one; 2-Octyl-3-isothiazolone; 2-n-Octyl-4-isothiazolin-3-one; Other RN: 122667-23-6, 12673-72-2, 245125-70-6, 249757-59-3, 53028-82-3, 68480-30-8 (hydrochloride);

SMILES n1(c(=O)ccs1)CCCCCCCC

CLASSIFICATION

Disinfectant, Thiazoline, Fungicide, Bactericide, Preservative

EXTRA NOTES

EPA Pesticide Chemical Code 099901

PHYSICAL AND CHEMICAL PROPERTIES

PHYSICAL STATE amber oily liquid
MELTING POINT

 

BOILING POINT

120 C

SPECIFIC GRAVITY 1.04
SOLUBILITY IN WATER

Insoluble

pH 6 - 7
VAPOR DENSITY

 

log P 2.45 (Octanol-water)
VAPOR PRESSURE 3.68E-05 (mmHg at 25 C)
HENRY LAW CONSTANT 2.07E-08 (atm-m3/mole at 25 C)
OH RATE CONSTANT 3.94E-11 (cm3/molecule-sec at 25 C Atmospheric)

NFPA RATINGS

Health hazard: 3, Fire: 0, Reactivity Hazard: 0

REFRACTIVE INDEX

 

FLASH POINT

 

STABILITY

Stable under ordinary conditions. Light sensitive

EXTERNAL LINKS & GENERAL DESCRIPTION

Wikipedia Linking

Google Scholar Search

http://apps.kemi.se/
Octylisothiazolinone is also used almost exclusively as a preservative in latex paints, but a small proportion is also used as a preservative in the leather and fur industries. Isothiazolines are also used as slime control agents in the pulp industry and as wood impregnating agents. Low concentrations, mostly <<0.01 %, of isothiazolines are present in a large number of products, which means that the volumes reported are averages with a wide interval. Concentrations are often given as maximum values, which compounds the uncertainty regarding these volumes.

Local:
Isothiazolinones containing sulfur atom (S), nitrogen (N), oxygen (O) at 3 position and hydrogen (H) can find application for making broad-spectrum biocides and preservatives such as antiseptic agents, bactericides, slimicides, and  fungicides.  The biggest application is in paint industry especially marine antifouling agent. They are also used in adhesives, cutting oils, water systems, cosmetics, household goods and wound protectant for pruning cuts. They are also used as pulp and wood impregnating agents as well as in leather, fur and polymer process. It is known to cause allergy and chemical burn if high concentration is used in personal care products and cosmetics.

The list of isothiazolinones include; 

Material

CAS #

EINECS #
(4-Chlorobenzyl)-3(2H)-isothiazolone 26530-09-6

 

1,2-Benzisothiazolin-3-one 2634-33-5

220-120-9

2-Butyl-1,2-benzisothiazolin-3-one 4299-07-4

 

2-Methyl-4,5-trimethylene-4-isothiazolin-3-one 82633-79-2

 

2-Methyl-4-isothiazolin-3-one 2682-20-4

220-239-6

2-Methyl-3-isothiazolone hydrochloride

26172-54-3

247-499-3
2-Octyl-3(2H)-isothiazolone 26530-20-1

247-761-7

4,5-Dichloro-2-cyclohexyl-4-isothiazolin-3-one 57063-29-3

 

4,5-Dichloro-2-octyl-3(2H)-isothiazolone 64359-81-5

264-843-8

4-Chloro-2-octyl-3(2H)-isothiazolone 64359-80-4 264-842-2
5-Chloro-2-(4-chlorophenylmethyl)-3(2H)-isothiazolone 66159-95-3

 

5-Chloro-2-methyl-4-isothiazolin-3-one 26172-55-4

247-500-7

5-Chloro-2-methyl-3(2H)-isothiazolone, calcium chloride complex 57373-19-0

 

5-Chloro-2-methyl-2H-isothiazol-3-one hydrochloride

26530-03-0

247-760-1

2-Methyl-4-isothiazolin-3-one calcium chloride 57373-20-3

 

Mixtures of these materials

 

 

Common biocides ( antiseptic agents, preservatives, bactericides, slimicides, fungicides) in cosmetics are parabens, isothiazolones, formaldehyde and formaldehyde releasing substances such as  quaternium 15, diazolidinyl urea.

GENERAL DESCRIPTION OF ANTISEPTIC AGENT: Antiseptic agent is a substance which kills or inhibits the growth of disease-causing bacteria and other microorganisms. It is essentially nontoxic to to be applied to the skin or mucous membranes. (Disinfectant including cresol, bleaching powder, and phenol is in general toxic to cells of the body). Common antiseptic agents are Benzalkonium Chloride, Cetrimide, Chlorhexidine, Hexachlorophene, Iodine Compounds, Mercury Compounds (Thimerosol), Alcohol and Hydrogen Peroxide, Hexamine Hippurate, Triclosan, Cetylpyridinium Chloride, And Dequalinium. Other substances which can be used for antiseptic purpose include Boric acid and volatile oils such as Methyl Salicylate.
Hexachlorophene and Benzalkonium Chloride are used primarily in hand or face washes. Benzalkonium Chloride must not be applied to areas which have not been fully rinsed as it is inactivated by organic compounds. Benzalkonium application many include disinfecting instruments and preservativing drugs in low concentration form.
Iodine compounds have the widest spectrum of antiinfectives against bacteria, fungi, spores, protozoa, viruses, and yeasts. Aqueous iodine are less effective than alcoholic solutions, but alcoholic component is drying and irritating to abraided skin. Povidone iodine is convenient to use as it is less irritating, but not as effective.
Chlorhexidine is used as a safe antiseptic or disinfectant to apply to prevent body infection and in oral rinses for treating sore gums and mouth ulcers and preventing plaque on teeth. It is used in the form of acetate, gluconate or hydrochloride, either alone or in combination with others such as cetrimide.
Cetrimide is an antiseptic agent with detergent properties. It has the wide spectrum of antiinfectives against bacteria and fungi. It is used as an ingredient of shampoos for treating seborrhoea and psoriasis. A very dilute solution can be applied topically for the relief of sore gums.
Hippuric Acid, an amino acid glycine, is excreted from the body and is used in urinary system drugs. Hexamine hippurates is helpful for preventing and treating infections of the urinary system; it acts by being transformed to formaldehyde.
Triclosan is a very popular antibacterial agent. It is used in hospitals for cleansing and disinfecting the skin of patients and surgeons. It is used in cosmetics, household goods and personal care products. It is also used in plastics and textiles for antibacterial activity purpose.
Cetylpyridinium chloride is used in oral rinses for cleaning mouth and treating minor throat or mouth infections and teething problems.
Dequalinium chloride is antiinfectives against bacteria and fungi. It is used in treating bacterial or fungal infections of mouth and throat.
SALES SPECIFICATION

APPEARANCE

amber oily liquid

ASSAY

40% in propyleneglycol

TRANSPORTATION
PACKING
50kgs or 200kgs in drum
HAZARD CLASS 8 (Packing Group: III)
UN NO. 2922
OTHER INFORMATION
Hazard Symbols: T, Risk Phrases: 22/23/24/34/43/50/53, Safety Phrases: 26/36/37/39/45/60/61




PRICE INFORMATION