2-Octyl-3(2H)-Isothiazolone Hydrochloride (1:1)
[CAS# 68480-30-8]

Identification

• Name: 2-Octyl-3(2H)-Isothiazolone Hydrochloride (1:1)
• Synonyms: 2-Octylisothiazol-3-One Hydrochloride; 2-Octyl-3-Isothiazolone Hydrochloride; 2-Octyl-2H-Isothiazol-3-One Hydrochloride
• Molecular Formula: C₁₁H₂₀ClNOS
• Molecular Weight: 249.80
• CAS Registry Number: 68480-30-8
• EINECS: 270-908-1
• SMILES: [H+].C(N1SC=CC1=O)CCCCCCC.[Cl-]
• InChI: 1S/C11H19NOS.ClH/c1-2-3-4-5-6-7-9-12-11(13)8-10-14-12;/h8,10H,2-7,9H2,1H3;1H
• InChIKey: DPGJMCSIMCJAOO-UHFFFAOYSA-N

Properties

• Boiling point: 304.5°C at 760 mmHg (Cal.)
• Flash point: 137.9°C (Cal.)