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Merck
CN

46078

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
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
329756598
EC Number:
247-761-7
Beilstein/REAXYS Number:
1211137
MDL number:
MFCD00072473

Key Documents

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Product Name

2-Octyl-4-isothiazolin-3-one, PESTANAL®, analytical standard

InChI key

JPMIIZHYYWMHDT-UHFFFAOYSA-N

InChI

1S/C11H19NOS/c1-2-3-4-5-6-7-9-12-11(13)8-10-14-12/h8,10H,2-7,9H2,1H3

SMILES string

CCCCCCCCN1SC=CC1=O

grade

analytical standard

product line

PESTANAL®

shelf life

limited shelf life, expiry date on the label

application(s)

agriculture
environmental

format

neat

Quality Level

100

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Related Categories

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

signalword

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

supp_hazards

EUH071

Storage Class

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

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

Regulatory Information

农药列管产品
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Certificates of Analysis (COA)

Lot/Batch Number
BCCM3430
BCCL9383
BCCC8053
BCBW4811

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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)
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)
E A Emmett et al.
Contact dermatitis, 20(1), 21-26 (1989-01-01)
Preparations of 2-n-octyl-4-isothiazolin-3-one (Skane M-8) at 1000 p.p.m. a.i. and 500 p.p.m. a.i. in pet. induced allergy in a cumulative insult human patch test. Challenge patch testing using 250 p.p.m. a.i. Skane M-8 elicited allergy in 6 out of 6
Vera Baumgartner et al.
Journal of chromatography. A, 1218(19), 2692-2699 (2011-02-19)
High-performance thin-layer chromatography (HPTLC) coupled with bioluminescence detection using Vibrio fischeri bacteria can be used for screening for unknown substances. This is accomplished by dipping the HPTLC plate in an aqueous bacteria solution. Especially polar substances, however, can start to
C G Mathias et al.
Contact dermatitis, 9(6), 507-509 (1983-11-01)
Severe allergic contact dermatitis from a paint mildewcide, 2-n-octyl-4-isothiazolin-3-one, developed in a worker formulating latex paints within a paint manufacturing company, Guinea pig maximization testing demonstrated this to be a moderate sensitizer. Further cases of allergic contact dermatitis may be
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