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

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

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)