Home Thiazoles 26530-20-1
26530-20-1,MFCD00072473
Catalog No.:AA003HQY
26530-20-1 | 2-Octylisothiazol-3(2H)-one
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1g
98%(GC)
in stock  
$54.00   $38.00
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5g
98%(GC)
in stock  
$112.00   $79.00
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25g
98%(GC)
in stock  
$292.00   $204.00
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100g
98%(GC)
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$833.00   $583.00
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  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA003HQY
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
Computed 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  

Synonyms
 
2-n-octyl-4-isothiazolin-3-one 
2-n-octyl-4-isothiazolin-3-one hydrochloride 
2-n-Octyl-4-isothiazolin-3-one 
Octhilinone 10 microg/mL in Acetonitrile 
2-Octyl-3(2H)-isothiazolone, Octhilinone 
AX8013468 
DB-028182 
TR-012025 
FT-0613248 
O0343 
O0378 
ST24028121 
C18752 
2-Octyl-4-isothiazolin-3-one 
K-6861 
530O201 
C-24530 
I09-0070 
2-Octyl-4-isothiazolin-3-one, PESTANAL(R), analytical standard 
Decene 
Octhilinone [ISO] 
2-octyl-2h-isothiazol-3-on 
3 (2H)-Isotiazolona, 2-octil- 
C11-H19-N-O-S 
2-Octyl-3-isothiazolone 
CID33528 
NA2922 
UN2922 
2-n-Octyl-4-isothiazoline-3-one (OIT) 
2-n-octyl-4-isothiazolin-3-one hydrochloride 
C035331 
25339-53-1 
Pancil 
2-Octyl-2H-isothiazol-3-one 
Kathon 893 
2-Octyl-3(2H)-isothiazolone 
Skane 8 
3(2H)-Isothiazolone, 2-octyl- 
Skane M-8 
2-octyl-3-isothiazolone 
Kathon 893F 
Micro-chek skane 
Kathon LM 
Microbicide M-8 
Micro-chek 11 
Micro-chek 11D 
Kathon SP 70 
Kathon LP preservative 
Kathon 4200 
Pancil-T 
2-octyl-4-isothiazolin-3-one 
Skane M8 
Caswell No. 613C 
Kathon 
4-Isothiazolin-3-one, 2-octyl- 
UNII-4LFS24GD0V 
Vinylzene IT 3000DIDP 
Octyl-3(2H)-isothiazolone 
RH 893 
2-octyl-1,2-thiazol-3-one 
Octhilinone [ANSI:BSI:ISO] 
Kathon 893 
CCRIS 6082 
EINECS 247-761-7 
2-Octyl-3-isothioazolone 
N-Octyl-isothiazol-3-one 
2-Octyl-3-isothiazolinone 
Octyl-4-isothiazol-3-one 
EPA Pesticide Chemical Code 099901 
2-n-Octyl-3-isothiazolone 
BRN 1211137 
4LFS24GD0V 
octhilinone 
MLS002415697 
CHEBI:81936 
JPMIIZHYYWMHDT-UHFFFAOYSA-N 
SMR001370885 
DSSTox_CID_5805 
DSSTox_RID_77928 
DSSTox_GSID_25805 
W-107168 
CAS-26530-20-1 
C11H19NOS 
Skane M-8 
Pancil T 
Skane M 8 
2-octylisothiazol-3-one 
ACMC-1CDE4 
Vinyzene IT 3000DIDP 
AC1L1PS2 
SCHEMBL15648 
cid_33528 
KSC163A4D 
SCHEMBL396433 
Octhilinone 
Jsp005029 
CHEMBL1562104 
DTXSID1025805 
BDBM66023 
KS-00000ZYZ 
ZINC2012904 
2-octyl-1,2-thiazol-3(2H)-one 
Tox21_201459 
Tox21_300566 
ANW-26014 
26530-20-1 
MFCD00072473 
RH-893 
SD 888 
AKOS015897428 
LS-1106 
RTR-012025 
TRA0009500 
ACM25339531 
ACM26530201 
NCGC00091875-01 
2-octylisothiazol-3(2H)-one 
NCGC00091875-02 
NCGC00091875-03 
NCGC00091875-04 
NCGC00091875-05 
NCGC00254466-01 
NCGC00259010-01 
AK109069 
AN-24752 
AS-11894 
CC-11727 
Literature

Title: Benzisothiazolinone as a useful template for the design of new monoacylglycerol lipase inhibitors: investigation of the target residues and comparison with octhilinone.

Journal: Bioorganic & medicinal chemistry letters 20111215

Title: Kinetic migration of isothiazolinone biocides from paper packaging to Tenax and Porapak.

Journal: Food additives & contaminants. Part A, Chemistry, analysis, control, exposure & risk assessment 20110901

Title: Rolling--a new application technique for luminescent bacteria on high-performance thin-layer chromatography plates.

Journal: Journal of chromatography. A 20110513

Title: An outbreak of occupational allergic contact dermatitis caused by 2-N-octyl-4-isothiazolin-3-one among workers in an adhesive factory.

Journal: Contact dermatitis 20110201

Title: Analysis of isothiazolinone biocides in paper for food packaging by ultra-high-performance liquid chromatography-tandem mass spectrometry.

Journal: Food additives & contaminants. Part A, Chemistry, analysis, control, exposure & risk assessment 20101201

Title: Non-occupational allergic contact dermatitis from 2-N-octyl-4-isothiazolin-3-one in a Japanese mattress gel-sheet used for cooling.

Journal: Contact dermatitis 20100501

Title: Analyzing cytotoxic effects of selected isothiazol-3-one biocides using the toxic ratio concept and structure-activity relationship considerations.

Journal: Chemical research in toxicology 20091201

Title: A critical cysteine residue in monoacylglycerol lipase is targeted by a new class of isothiazolinone-based enzyme inhibitors.

Journal: British journal of pharmacology 20090701

Title: 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.

Journal: Toxicology 20080418

Title: Occupational allergic contact dermatitis to 2-N-octyl-4-isothiazolin-3-one.

Journal: Journal of investigational allergology & clinical immunology 20080101

Title: Analysis of isothiazolinones in environmental waters by gas chromatography-mass spectrometry.

Journal: Journal of chromatography. A 20070914

Title: Occupational allergic contact dermatitis from 2-N-octyl-4-isothiazolin-3-one.

Journal: Contact dermatitis 20070301

Title: Influence of starvation, surface attachment and biofilm growth on the biocide susceptibility of the biodeteriogenic yeast Aureobasidium pullulans.

Journal: Journal of applied microbiology 20060801

Title: Fungal colonization of soil-buried plasticized polyvinyl chloride (pPVC) and the impact of incorporated biocides.

Journal: Microbiology (Reading, England) 20060601

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Title: Occupational contact allergy and dermatitis from methylisothiazolinone after contact with wallcovering glue and after a chemical burn from a biocide.

Journal: Dermatitis : contact, atopic, occupational, drug 20041201

Title: Contact dermatitis from 2-n-octyl-4-isothiazolin-3-one in a PhD student.

Journal: Contact dermatitis 20040101

Title: In situ quantification of biocide efficacy using GFP transformed Aureobasidium pullulans.

Journal: Journal of applied microbiology 20040101

Title: Fungal colonization and succession on newly painted buildings and the effect of biocide.

Journal: FEMS microbiology ecology 20020201

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