4,5-二氯-N-辛基-3(2H)-异噻唑酮

Description

4,5-Dichloro-N-octyl-3(2H)-isothiazolone · CAS 64359-81-5 · C11H17Cl2NOS. UNII HCY9Q844W2. Melting Point: 40-46 °C; Solubility: In water, 14 ppm at 25 °C; Vapor Pressure: 7.4X10-6 mm Hg at 25 °C.

Identification

CAS Registry Number	64359-81-5
PubChem CID	91688
Molecular formula	C11H17Cl2NOS
IUPAC name	4,5-dichloro-2-octyl-1,2-thiazol-3-one
UNII (FDA)	HCY9Q844W2

Computed Descriptors

Molecular Weight	282.2
XLogP3	5.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Exact Mass	281.0407907
Monoisotopic Mass	281.0407907
Topological Polar Surface Area	45.6
Heavy Atom Count	16
Formal Charge	0

Physical & Chemical Properties

Melting Point	40-46 °C
Solubility	In water, 14 ppm at 25 °C
Vapor Pressure	7.4X10-6 mm Hg at 25 °C
LogP	4.9

Physical description & handling notes

• Liquid
• Crystals from hexane
• Decomposes before boiling
• In deionized water, 6.5 ppm; 4.7 ppm in synthetic seawater
• Miscible in most organic solvents
• 1.28 g/mL at 25 °C (melted and solidified)

Regulatory Status

Regulatory & Food Contact	FDA Cumulative Estimated Daily Intake (CEDI): FCS FDA Inventory of Effective Food Contact Substance (FCS) Noti: FCS As a preservative and slimicide in the manufacture of paper and paperboard intended to contact aqueous and fat
GHS notification summary	1.3% (5 / 373)

GHS Hazard Classification

GHS notification summary	1.3% (5 / 373)
Reported hazard statements	H302, H314, H317, H318, H330, H400, H410, H312 (10.2%)

Documented Uses

• Isothiazolinones with longer aliphatic chains tend to be more fungicidal. They are used as fungicides for dry-film protection in paints, sealants, plasticized PVC, for wood stains and as co-fungicides for in-can preservatives based on combination with other biocides. /Isothiazolinones/
• Paint and Coating Manufacturing
• 3(2H)-Isothiazolone, 4,5-dichloro-2-octyl-: ACTIVE

Synonyms

64359-81-5; Kathon 930; dcoit; 4,5-Dichloro-2-n-octyl-4-isothiazolin-3-one; 4,5-Dichloro-2-n-octyl-3(2H)-isothiazolone; Sea-Nine 211; Anti-Foulant C-9211M; 3(2H)-Isothiazolone, 4,5-dichloro-2-octyl-; SEA-NINE; Sea Nine 211; 4,5-dichloro-2-octyl-3-isothiazolone; HCY9Q844W2; CHEBI:83518; C-9211; RH-5287; RefChem:507671

Frequently Asked Questions

What are the CAS number and molecular formula of 4,5-Dichloro-N-octyl-3(2H)-isothiazolone?

CAS 64359-81-5; molecular formula C11H17Cl2NOS; molecular weight — g/mol.

What other names is 4,5-Dichloro-N-octyl-3(2H)-isothiazolone known by?

64359-81-5, Kathon 930, dcoit, 4,5-Dichloro-2-n-octyl-4-isothiazolin-3-one, 4,5-Dichloro-2-n-octyl-3(2H)-isothiazolone, Sea-Nine 211.

What is the regulatory status of 4,5-Dichloro-N-octyl-3(2H)-isothiazolone?

Documented regulatory listings: FDA Cumulative Estimated Daily Intake (CEDI): FCS; FDA Inventory of Effective Food Contact Substance (FCS) Noti: FCS; As a preservative and slimicide in the manufacture of paper and paperboard intended to contact aqueous and fat.

Is 4,5-Dichloro-N-octyl-3(2H)-isothiazolone classified as hazardous?

1.3% of GHS notifications report no hazard classification (5 of 373).

What are the key physical properties of 4,5-Dichloro-N-octyl-3(2H)-isothiazolone?

Melting Point: 40-46 °C; Solubility: In water, 14 ppm at 25 °C; Vapor Pressure: 7.4X10-6 mm Hg at 25 °C; LogP: 4.9.

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.