| Identification | More | [Name]
2-Octyl-2H-isothiazol-3-one | [CAS]
26530-20-1 | [Synonyms]
2-N-OCTYL-4-ISOTHIAZOLIN-3-ONE
2-Octyl-2H-isothiazol-3-one
2-OCTYL-3(2H)-ISOTHIAZOLONE
2-OCTYL-4-ISOTHIAZOLIN-3-ONE
5-CHLORO-2-METHYL-ISOTHIAZOL-3-ONE/2-METHYL-ISOTHIAZOL-3-ONE
kathon 893
N-OCTYL-4-ISOTHIAZOLIN-3-ONE
OCTHILINONE
Octyl-3(2H)-isothiazolone
OIT
PANCIL-T
2-octyl-3(2h)-isothiazolon
2-octyl-3-isothiazolone
2-octyl-4-isothiazolin-3-on
3(2h)-isothiazolone,2-octyl-
Isothiazolone,2-octyl-
kathonlppreservative
kathonsp70
micro-chek11
micro-chek11d | [EINECS(EC#)]
247-761-7 | [Molecular Formula]
C11H19NOS | [MDL Number]
MFCD00072473 | [Molecular Weight]
213.34 | [MOL File]
26530-20-1.mol |
| Chemical Properties | Back Directory | [Appearance]
Yellow solid or clear dark amber liquid. | [Melting point ]
<25 °C | [Boiling point ]
120°C | [density ]
1.04 | [vapor pressure ]
4.9hPa at 25℃ | [refractive index ]
1.5500 (estimate) | [Fp ]
23℃ | [storage temp. ]
Refrigerator | [solubility ]
Chloroform (Slightly), Ethyl Acetate (Slightly) | [form ]
neat | [pka]
-2.04±0.20(Predicted) | [color ]
White or Colorless to Yellow | [Stability:]
Stable. Incompatible with strong oxidizing agents. | [Water Solubility ]
<0.1 g/100 mL at 19 ºC | [Usage]
Fungicide. Antimicrobial agent | [Merck ]
14,6755 | [BRN ]
1211137 | [Henry's Law Constant]
4.8×102 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) | [Major Application]
agriculture
environmental | [Cosmetics Ingredients Functions]
ANTIMICROBIAL | [InChI]
1S/C11H19NOS/c1-2-3-4-5-6-7-9-12-11(13)8-10-14-12/h8,10H,2-7,9H2,1H3 | [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. | [InChIKey]
JPMIIZHYYWMHDT-UHFFFAOYSA-N | [SMILES]
CCCCCCCCN1SC=CC1=O | [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]
26530-20-1(EPA Substance) |
| Hazard Information | Back Directory | [Chemical Properties]
Light Yellow Oil | [Uses]
Fungicide. Antimicrobial agent | [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. | [Uses]
Fungicide. Biocide in cooling-tower water, paints, cutting oils, cosmetics and shampoo; for leather preservation. | [General Description]
Clear dark amber liquid. Used as a fungicide. | [Reactivity Profile]
2-OCTYL-3-ISOTHIAZOLONE(26530-20-1) 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. | [Air & Water Reactions]
Insoluble in water. | [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. | [Fire Hazard]
This chemical is probably combustible. | [First aid]
Move victim to fresh air. Call 911 or emergency
medical service. Give artificial respiration if victim is not
breathing. Do not use mouth-to-mouth methods if victim
ingested or inhaled the substance; give artificial respiration
with the aid of a pocket mask equipped with a one-way
valve or other proper respiratory medical device?
Administer oxygen if breathing is difficult. Remove and
isolate contaminated clothing and shoes. In the case of contact
with substance, immediately flush skin or eyes with
running water for at least 20 minutes. For minor skin contact,
avoid spreading material on unaffected skin. Keep victim
warm and quiet. Effects of exposure (inhalation,
ingestion, or skin contact) to substance may be delayed.
Ensure that medical personnel are aware of the material(s)
involved and take precautions to protect themselves.
Medical observation is recommended for 2448 hours after
breathing overexposure, as pulmonary edema may be
delayed. As first aid for pulmonary edema, a doctor or
authorized paramedic may consider administering a drug or
other inhalation therapy. | [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. | [Description]
This isothiazolione, octylisothiazolinone, is contained
in relatively fewer products than other isothiazolinones. | [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. | [Production Methods]
Octhilinone is produced through a multi-step synthetic process that constructs the isothiazolinone ring and introduces the octyl side chain for antimicrobial activity. The synthesis typically begins with the reaction of octylamine and carbon disulfide, forming a dithiocarbamate intermediate. This is then cyclised with chlorinating agents such as chlorine gas or sulfuryl chloride, which help form the five-membered isothiazolinone ring by introducing the necessary sulphur and nitrogen linkages. | [Flammability and Explosibility]
Nonflammable | [Mechanism of action]
Inhibits fungal growth by inhibiting nucleic acid synthesis (DNA / RNA synthesis). | [Toxics Screening Level]
The initial threshold screening level (ITSL) for octylisothiazolone is 2 μg/m3 based on an annual averaging time. | [Pesticide Type]
Fungicide |
| Safety Data | Back Directory | [Symbol(GHS) ]
  
GHS05,GHS06,GHS09 | [Signal word ]
Danger | [Hazard statements ]
H301+H311-H314-H317-H330-H410 | [Precautionary statements ]
P260-P273-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338 | [Hazard Codes ]
T;N,N,T | [Risk Statements ]
R22:Harmful if swallowed.
R23/24:Toxic by inhalation and in contact with skin .
R34:Causes burns.
R43:May cause sensitization by skin contact.
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment . | [Safety Statements ]
S1/2:Keep locked up and out of the reach of children .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S60:This material and/or its container must be disposed of as hazardous waste .
S61:Avoid release to the environment. Refer to special instructions safety data sheet . | [RIDADR ]
2922 | [WGK Germany ]
3 | [RTECS ]
NX8156900 | [TSCA ]
TSCA listed | [REACH Registrations]
Active | [HazardClass ]
8 | [PackingGroup ]
III | [HS Code ]
29341000 | [Storage Class]
6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials | [Hazard Classifications]
Acute Tox. 2 Inhalation
Acute Tox. 3 Dermal
Acute Tox. 3 Oral
Aquatic Acute 1
Aquatic Chronic 1
Eye Dam. 1
Skin Corr. 1B
Skin Sens. 1A | [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. | [Hazardous Substances Data]
26530-20-1(Hazardous Substances Data) | [Toxicity]
LD50 orl-rat: 550 mg/kg MosJN# 15AUG79 |
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