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

Base Information Edit

Chemical Name:2-Octyl-2H-isothiazol-3-one
CAS No.:26530-20-1
Deprecated CAS:122667-23-6,12673-72-2,53028-82-3,245125-70-6,249757-59-3,1135442-68-0,1617530-25-2,1135442-68-0,12673-72-2,245125-70-6,249757-59-3,53028-82-3
Molecular Formula:C11H19NOS
Molecular Weight:213.344
Hs Code.:29341000
European Community (EC) Number:247-761-7
UN Number:2922
UNII:4LFS24GD0V
DSSTox Substance ID:DTXSID1025805
Nikkaji Number:J10.439F
Wikidata:Q2013949
RXCUI:1362738
Pharos Ligand ID:ASQMWW1ADNGF
ChEMBL ID:CHEMBL1562104
Mol file:26530-20-1.mol

Synonyms:4-Isothiazolin-3-one,2-octyl- (8CI);2-Octyl-3-isothiazolone;2-Octyl-4-isothiazoline-3-one;2-n-Octyl-3-isothiazolone;2-n-Octyl-4-isothiozolin-3-one;A-DW;Acticide 45;Acticide OTW;Kathon 4200;Kathon 893F;Kathon893T;Kathon LP Preservative;Levanax BS 50;Octhilinone;Pancil;RH893;SD 888;Skane M 8;Zonen 0/100;Zonen O 100;

Suppliers and Price of 2-Octyl-2H-isothiazol-3-one

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
Octhilinone
10g
$ 320.00

TRC
Octhilinone
2.5g
$ 120.00

TCI Chemical
2-n-Octyl-4-isothiazolin-3-one [for Biochemical Research]
1G
$ 64.00

TCI Chemical
2-n-Octyl-4-isothiazolin-3-one >98.0%(GC)
5g
$ 60.00

TCI Chemical
2-n-Octyl-4-isothiazolin-3-one >98.0%(GC)
25g
$ 172.00

Sigma-Aldrich
2-Octyl-4-isothiazolin-3-one PESTANAL?, analytical standard
250 mg
$ 134.00

Sigma-Aldrich
2-Octyl-4-isothiazolin-3-one PESTANAL?, analytical standard
250mg-r
$ 130.00

Medical Isotopes, Inc.
Octhilinone
250 mg
$ 860.00

Crysdot
2-Octylisothiazol-3(2H)-one 97%
25g
$ 58.00

Chem-Impex
2-n-Octyl-4-isothiazolin-3-one,≥98%(GC)Hazmat ≥98%(GC)
25G
$ 203.84

Total 138 raw suppliers

Chemical Property of 2-Octyl-2H-isothiazol-3-one Edit

Chemical Property:

Appearance/Colour:light yellow oil
Vapor Pressure:0.00141mmHg at 25°C
Melting Point:<25 °C
Refractive Index:1.513
Boiling Point:304.5 °C at 760 mmHg
PKA:-2.04±0.20(Predicted)
Flash Point:137.9 °C
PSA：50.24000
Density:1.037 g/cm³
LogP:3.27030
Storage Temp.:Refrigerator
Water Solubility.:<0.1 g/100 mL at 19℃
XLogP3:3.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:213.11873540
Heavy Atom Count:14
Complexity:204
Transport DOT Label:Corrosive Poison

Purity/Quality:

99% ^*data from raw suppliers

Octhilinone ^*data from reagent suppliers

Safty Information:

Pictogram(s): T,N
Hazard Codes:T;N,N,T
Statements: 22-23/24-34-43-50/53
Safety Statements: 1/2-26-36/37/39-45-60-61

MSDS Files:: SDS file from LookChem

Useful:

Chemical Classes:Other Uses -> Biocides/Disinfectants
Canonical SMILES:CCCCCCCCN1C(=O)C=CS1
Description This isothiazolione, octylisothiazolinone, is contained in relatively fewer products than other isothiazolinones.
Uses Fungicide. Antimicrobial agent Fungicide. Biocide in cooling-tower water, paints, cutting oils, cosmetics and shampoo; for leather preservation. 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.

Technology Process of 2-Octyl-2H-isothiazol-3-one

There total 10 articles about 2-Octyl-2H-isothiazol-3-one which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 88.0%