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2-Octyl-2H-isothiazol-3-one 26530-20-1

At room temperature and standard atmospheric pressure, it is a white to pale yellow solid that is insoluble in water but soluble in organic solvents such as alcohols or ethers. It is stable under strong light and at high temperatures. Its structure contains sulfur atoms, making it prone to oxidation when exposed to oxidizing agents.


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Model:
26530-20-1
Brand:
Boss Chemical
Code:
26530-20-1

Product Description

2-Octyl-2H-isothiazol-3-one Basic information
Product Name:	2-Octyl-2H-isothiazol-3-one
CAS:	26530-20-1
MF:	C11H19NOS
MW:	213.34
EINECS:	247-761-7
Mol File:	26530-20-1.mol
2-Octyl-2H-isothiazol-3-one Chemical Properties
Melting point	<25 °C
Boiling point	120°C
density	1.04
vapor pressure	4.9hPa at 25℃
refractive index	1.5500 (estimate)
Fp	23℃
storage temp.	Sealed in dry,2-8°C
solubility	Chloroform (Slightly), Ethyl Acetate (Slightly)
pka	-2.04±0.20(Predicted)
color	White or Colorless to Yellow
Water Solubility	<0.1 g/100 mL at 19 ºC
Merck	146,755
BRN	1211137
Henry's Law Constant	4.8×102 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
Stability:	Stable. Incompatible with strong oxidizing agents.
Major Application	agriculture
Major Application	environmental
Cosmetics Ingredients Functions	ANTIMICROBIAL
InChI	1S/C11H19NOS/c1-2-3-4-5-6-7-9-12-11(13)8-10-14-12/h8,10H,2-7,9H2,1H3
InChIKey	JPMIIZHYYWMHDT-UHFFFAOYSA-N
SMILES	CCCCCCCCN1SC=CC1=O
LogP	2.61 at 25℃
CAS DataBase Reference	26530-20-1(CAS DataBase Reference)
NIST Chemistry Reference	3(2H)-isothiazolone, 2-octyl-(26530-20-1)
EPA Substance Registry System	Octhilinone (26530-20-1)