2-n-Octyl-4-isothiazolin-3-one

CAS Registry Number®

26530-20-1
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CAS Name

2-n-Octyl-4-isothiazolin-3-one

Molecular Formula

C11H19NOS

Molecular Mass

213.34

Cite this Page

2-n-Octyl-4-isothiazolin-3-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=26530-20-1 (retrieved 2024-04-18) (CAS RN: 26530-20-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    120 °C

  • Melting Point (1)

    <25 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

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

InChIKey

InChIKey=JPMIIZHYYWMHDT-UHFFFAOYSA-N

SMILES

C(CCCCCCC)N1C(=O)C=CS1

Canonical SMILES

O=C1C=CSN1CCCCCCCC

Other Names for this Substance

  • 3(2H)-Isothiazolone, 2-octyl-
  • 4-Isothiazolin-3-one, 2-octyl-
  • 2-Octyl-3(2H)-isothiazolone
  • 2-n-Octyl-4-isothiozolin-3-one
  • 2-n-Octyl-3-isothiazolone

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Deleted or Replaced CAS Registry Numbers

12673-72-2, 53028-82-3, 122667-23-6, 245125-70-6, 249757-59-3, 1135442-68-0, 1617530-25-2

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