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Substance Name: Octhilinone [ANSI:BSI:ISO]
RN: 26530-20-1
UNII: 4LFS24GD0V
InChIKey: JPMIIZHYYWMHDT-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Drug / Therapeutic Agent
  • Fungicide, Bactericide, Wood Preservative
  • Skin / Eye Irritant

Molecular Formula

  • C11-H19-N-O-S

Molecular Weight

  • 213.3431
 
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Names and Synonyms

Results Name

  • Octhilinone [ANSI:BSI:ISO]

Name of Substance

  • 2-n-Octyl-4-isothiazolin-3-one
  • Octhilinone
  • Octhilinone [ANSI:BSI:ISO]

Synonyms

  • 2-n-Octyl-4-isothiazolin-3-one
  • 2-Octyl-3(2H)-isothiazolone
  • 2-Octyl-4-isothiazolin-3-one
  • BRN 1211137
  • Caswell No. 613C
  • CCRIS 6082
  • EINECS 247-761-7
  • EPA Pesticide Chemical Code 099901
  • Kathon 4200
  • Kathon 893
  • Kathon 893F
  • Kathon LM
  • Kathon LP preservative
  • Kathon SP 70
  • Micro-chek 11
  • Micro-chek 11D
  • Micro-chek skane
  • Microbicide M-8
  • Octhilinone
  • Pancil
  • Pancil-T
  • RH 893
  • Skane 8
  • Skane M-8
  • Skane M8
  • UNII-4LFS24GD0V
  • Vinylzene IT 3000DIDP

Systematic Names

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

Superlist Name

  • 2-n-Octyl-4-isothiazolin-3-one

Registry Numbers

CAS Registry Number

  • 26530-20-1

FDA UNII

  • 4LFS24GD0V

Other Registry Numbers

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

Related Registry Number

  • 68480-30-8 (hydrochloride)

System Generated Number

  • 0026530201

Structure Descriptors

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 690mg/kg (690mg/kg)   Personal Communication from J.N. Moss, Toxicology Dept., Rohm and Haas Co., Spring House, PA 19477, Aug. 15, 1979Vol. 15AUG1979,
rat LC inhalation > 2gm/m3 (2000mg/m3)   Journal of the American Leather Chemists' Association. Vol. 74, Pg. 322, 1979.
rat LD50 oral 550mg/kg (550mg/kg)   Personal Communication from J.N. Moss, Toxicology Dept., Rohm and Haas Co., Spring House, PA 19477, Aug. 15, 1979Vol. 15AUG1979,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
log P (octanol-water) 2.45 (none)   EXP
Water Solubility 500 mg/L 25 EXP
Vapor Pressure 3.68E-05 mm Hg 25 EXP
Henry's Law Constant 2.07E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.94E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.