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Supelco

2-Octyl-4-isothiazolin-3-one

PESTANAL®, analytical standard

Synonym(s):

2-Octyl-3(2H)-isothiazolone, Octhilinone

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About This Item

Empirical Formula (Hill Notation):
C11H19NOS
CAS Number:
26530-20-1
Molecular Weight:
213.34
Beilstein:
1211137
EC Number:
247-761-7
MDL number:
MFCD00072473
UNSPSC Code:
41116107
PubChem Substance ID:
329756598
NACRES:
NA.24

grade

analytical standard

product line

PESTANAL®

shelf life

limited shelf life, expiry date on the label

application(s)

agriculture
environmental

format

neat

SMILES string

CCCCCCCCN1SC=CC1=O

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

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Application

  • Nonthermal Plasma in Wastewater Treatment: This research utilized nonthermal plasma-based advanced oxidation processes (AOPs) for degrading micropollutants, including isothiazolinones, in wastewater. The study underscores the effectiveness of 2-Octyl-4-isothiazolin-3-one in microbial growth control, providing insights into its applications in wastewater management and microbial contamination control (Chen et al., 2023).
  • Surface Interactions of Semi-Volatile Isothiazolinones: The study quantified the equilibria of semi-volatile isothiazolinones, such as 2-Octyl-4-isothiazolin-3-one, between air and glass surfaces, using techniques like gas chromatography and Raman spectroscopy. This research is vital for understanding the stability and persistence of 2-Octyl-4-isothiazolin-3-one in various environments, particularly its use in biotech applications (Sohn et al., 2023).

Legal Information

PESTANAL is a registered trademark of Merck KGaA, Darmstadt, Germany

Signal Word

Danger

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

Supplementary Hazards

EUH071

Storage Class Code

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Sigma-Aldrich

687677

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Non-occupational allergic contact dermatitis from 2-N-octyl-4-isothiazolin-3-one in a Japanese mattress gel-sheet used for cooling.
Atsushi Fukunaga et al.
Contact dermatitis, 62(5), 317-318 (2010-06-12)
Occupational allergic contact dermatitis to 2-N-octyl-4-isothiazolin-3-one.
J Reyes Balaguer et al.
Journal of investigational allergology & clinical immunology, 18(1), 76-77 (2008-03-26)
Contact dermatitis from 2-n-octyl-4-isothiazolin-3-one in a PhD student.
H S Young et al.
Contact dermatitis, 50(1), 47-48 (2004-04-03)
An outbreak of occupational allergic contact dermatitis caused by 2-N-octyl-4-isothiazolin-3-one among workers in an adhesive factory.
Mohammad K Ghazavi et al.
Contact dermatitis, 64(2), 114-115 (2011-01-08)
H A Sabev et al.
Journal of applied microbiology, 97(6), 1132-1139 (2004-11-18)
To develop a real-time in situ method to quantify loss of viability of Aureobasidium pullulans PRAFS8 cells attached to plasticized polyvinyl chloride (pPVC) with incorporated biocides, and to use the method to compare biocide efficacy in situ. A. pullulans PRAFS8
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