Home Other Building Blocks 2-Octylisothiazol-3(2H)-one

2-Octylisothiazol-3(2H)-one

CAS No.:
26530-20-1
Catalog Number:
AG003HTQ
Molecular Formula:
C11H19NOS
Molecular Weight:
213.3397
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%(GC)
In Stock USA
United States
$47
- +
5g
98%(GC)
In Stock USA
United States
$98
- +
25g
98%(GC)
In Stock USA
United States
$255
- +
100g
98%(GC)
In Stock USA
United States
$729
- +
Product Description
Catalog Number:
AG003HTQ
Chemical Name:
2-Octylisothiazol-3(2H)-one
CAS Number:
26530-20-1
Molecular Formula:
C11H19NOS
Molecular Weight:
213.3397
MDL Number:
MFCD00072473
IUPAC Name:
2-octyl-1,2-thiazol-3-one
InChI:
InChI=1S/C11H19NOS/c1-2-3-4-5-6-7-9-12-11(13)8-10-14-12/h8,10H,2-7,9H2,1H3
InChI Key:
JPMIIZHYYWMHDT-UHFFFAOYSA-N
SMILES:
CCCCCCCCn1sccc1=O
EC Number:
247-761-7
UNII:
4LFS24GD0V
UN Number:
2922
Properties
Complexity:
204  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.119g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.339g/mol
Monoisotopic Mass:
213.119g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Literature
Title Journal
Benzisothiazolinone as a useful template for the design of new monoacylglycerol lipase inhibitors: investigation of the target residues and comparison with octhilinone. Bioorganic & medicinal chemistry letters 20111215
Kinetic migration of isothiazolinone biocides from paper packaging to Tenax and Porapak. Food additives & contaminants. Part A, Chemistry, analysis, control, exposure & risk assessment 20110901
Rolling--a new application technique for luminescent bacteria on high-performance thin-layer chromatography plates. Journal of chromatography. A 20110513
An outbreak of occupational allergic contact dermatitis caused by 2-N-octyl-4-isothiazolin-3-one among workers in an adhesive factory. Contact dermatitis 20110201
Analysis of isothiazolinone biocides in paper for food packaging by ultra-high-performance liquid chromatography-tandem mass spectrometry. Food additives & contaminants. Part A, Chemistry, analysis, control, exposure & risk assessment 20101201
Non-occupational allergic contact dermatitis from 2-N-octyl-4-isothiazolin-3-one in a Japanese mattress gel-sheet used for cooling. Contact dermatitis 20100501
Analyzing cytotoxic effects of selected isothiazol-3-one biocides using the toxic ratio concept and structure-activity relationship considerations. Chemical research in toxicology 20091201
A critical cysteine residue in monoacylglycerol lipase is targeted by a new class of isothiazolinone-based enzyme inhibitors. British journal of pharmacology 20090701
Structure-activity relationships for the impact of selected isothiazol-3-one biocides on glutathione metabolism and glutathione reductase of the human liver cell line Hep G2. Toxicology 20080418
Occupational allergic contact dermatitis to 2-N-octyl-4-isothiazolin-3-one. Journal of investigational allergology & clinical immunology 20080101
Analysis of isothiazolinones in environmental waters by gas chromatography-mass spectrometry. Journal of chromatography. A 20070914
Occupational allergic contact dermatitis from 2-N-octyl-4-isothiazolin-3-one. Contact dermatitis 20070301
Influence of starvation, surface attachment and biofilm growth on the biocide susceptibility of the biodeteriogenic yeast Aureobasidium pullulans. Journal of applied microbiology 20060801
Fungal colonization of soil-buried plasticized polyvinyl chloride (pPVC) and the impact of incorporated biocides. Microbiology (Reading, England) 20060601
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Occupational contact allergy and dermatitis from methylisothiazolinone after contact with wallcovering glue and after a chemical burn from a biocide. Dermatitis : contact, atopic, occupational, drug 20041201
Contact dermatitis from 2-n-octyl-4-isothiazolin-3-one in a PhD student. Contact dermatitis 20040101
In situ quantification of biocide efficacy using GFP transformed Aureobasidium pullulans. Journal of applied microbiology 20040101
Fungal colonization and succession on newly painted buildings and the effect of biocide. FEMS microbiology ecology 20020201
Properties