2-正辛基-4-异噻唑啉-3-酮

Description

N-Octyl-4-isothiazolin-3-one · CAS 26530-20-1 · C11H19NOS. UNII 4LFS24GD0V. Boiling Point: 248 °F at 0.01 mmHg (NTP, 1992); Boiling Point: BP: 120 °C at 0.01 mm Hg; Melting Point: 15 °C at 101.325 kPa.

Identification

CAS Registry Number	26530-20-1
PubChem CID	33528
Molecular formula	C11H19NOS
IUPAC name	2-octyl-1,2-thiazol-3-one
UNII (FDA)	4LFS24GD0V

Computed Descriptors

Molecular Weight	213.34
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Exact Mass	213.11873540
Monoisotopic Mass	213.11873540
Topological Polar Surface Area	45.6
Heavy Atom Count	14
Formal Charge	0

Physical & Chemical Properties

Boiling Point	248 °F at 0.01 mmHg (NTP, 1992)
Boiling Point	BP: 120 °C at 0.01 mm Hg
Melting Point	15 °C at 101.325 kPa
Density	1.03
Vapor Pressure	2.98 mmHg at 77 °F (NTP, 1992)
Vapor Pressure	0.0000368 [mmHg]
Vapor Pressure	3.68X10-5 mm Hg (4.9 mPa) at 25 °C
LogP	log Kow = 2.45 at 24 °C
LogP	2.45
Viscosity	48.04 sq mm.s at 20 °C; 17.94 sq mm.s at 30 °C

Physical description & handling notes

• 2-octyl-3-isothiazolone is a clear dark amber liquid. Used as a fungicide.
• Clear dark amber liquid; [CAMEO]
• Liquid
• Light, golden yellow, clear liquid
• Very weak, sharp smell
• greater than 200 °F (NTP, 1992)

Regulatory Status

Regulatory & Food Contact	FDA Inventory of Effective Food Contact Substance (FCS) Noti: FCS 2-n-octyl-4-isothiazolin-3-one(OIT) (CAS Reg. No. 26530-20-1) The FCS is intended for use as an antimicrobial active ingredient of industrial technical formulations for use 2-n-octyl-4-isothiazolin-3-one (CAS Reg. No. 26530-20-1)
GHS notification summary	0.1% (1 / 1404)

GHS Hazard Classification

GHS notification summary	0.1% (1 / 1404)
Reported hazard statements	H301, H311, H314, H317, H318, H330, H400, H410

Documented Uses

• Used as a preservative in polishes, paints, cleaners, adhesives, and metalworking fluids; Also used in wood and leather preservatives; [Kanerva, p. 1821]
• Metal Machining [Category: Heat or Machine]
• Painting (Pigments, Binders, and Biocides) [Category: Paint]
• Working with Glues and Adhesives [Category: Other]
• Applying Wood Preservatives [Category: Other]
• Using Disinfectants or Biocides [Category: Clean]

Synonyms

Octhilinone; 26530-20-1; 2-n-Octyl-4-isothiazolin-3-one; 2-Octyl-4-isothiazolin-3-one; Pancil; 2-Octyl-2H-isothiazol-3-one; 2-Octyl-3-isothiazolone; 2-Octyl-3(2H)-isothiazolone; Skane 8; Micro-chek skane; 3(2H)-Isothiazolone, 2-octyl-; Pancil-T; Kathon LM; Microbicide M-8; Micro-chek 11; Micro-chek 11D

Frequently Asked Questions

What are the CAS number and molecular formula of N-Octyl-4-isothiazolin-3-one?

CAS 26530-20-1; molecular formula C11H19NOS; molecular weight — g/mol.

What other names is N-Octyl-4-isothiazolin-3-one known by?

Octhilinone, 26530-20-1, 2-n-Octyl-4-isothiazolin-3-one, 2-Octyl-4-isothiazolin-3-one, Pancil, 2-Octyl-2H-isothiazol-3-one.

What is the regulatory status of N-Octyl-4-isothiazolin-3-one?

Documented regulatory listings: FDA Inventory of Effective Food Contact Substance (FCS) Noti: FCS; 2-n-octyl-4-isothiazolin-3-one(OIT) (CAS Reg. No. 26530-20-1); The FCS is intended for use as an antimicrobial active ingredient of industrial technical formulations for use.

Is N-Octyl-4-isothiazolin-3-one classified as hazardous?

0.1% of GHS notifications report no hazard classification (1 of 1404).

What are the key physical properties of N-Octyl-4-isothiazolin-3-one?

Boiling Point: 248 °F at 0.01 mmHg (NTP, 1992); Boiling Point: BP: 120 °C at 0.01 mm Hg; Melting Point: 15 °C at 101.325 kPa; Density: 1.03.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.