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Substance Name: Isoxaben [BSI:ISO]
RN: 82558-50-7
UNII: 101V41EEA4
InChIKey: PMHURSZHKKJGBM-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Herbicide

Molecular Formula

  • C18-H24-N2-O4

Molecular Weight

  • 332.3976
 
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Names and Synonyms

Results Name

  • Isoxaben [BSI:ISO]

Name of Substance

  • Isoxaben
  • Isoxaben [BSI:ISO]

Synonyms

  • 2,6-Dimethoxy-N-(3-(1-ethyl-1-methylpropyl)-5-isoxazolyl)benzamide
  • Benzamizole
  • Caswell No. 419F
  • Cent 7
  • Compound 121607
  • EC 407-190-8
  • EL 107
  • EPA Pesticide Chemical Code 125851
  • Flexidor
  • Gallery
  • HSDB 6691
  • Isoxaben
  • N-(3-(1-Ethyl-1-methylpropyl)-5-isoxazolyl)-2,6-dimethoxybenzamide
  • N-(3-(1-Ethyl-methylpropyl)-5-isoxazolyl)-2,6-dimethoxybenzamide
  • NA 8318
  • Prolan
  • Prolan (herbicide)
  • UNII-101V41EEA4
  • X-Pand

Systematic Names

  • Benzamide, 2,6-dimethoxy-N-(3-(1-ethyl-1-methylpropyl)-5-isoxazolyl)-
  • Benzamide, N-(3-(1-ethyl-1-methylpropyl)-5-isoxazolyl)-2,6-dimethoxy-
  • N-(3-(1-Ethyl-1-methylpropyl)-1,2-oxazol-5-yl)-2,6-dimethoxybenzamide

Superlist Name

  • Isoxaben

Registry Numbers

CAS Registry Number

  • 82558-50-7

FDA UNII

  • 101V41EEA4

System Generated Number

  • 0082558507

Structure Descriptors

InChI

1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)

InChIKey

PMHURSZHKKJGBM-UHFFFAOYSA-N

Smiles

o1nc(cc1NC(=O)c1c(cccc1OC)OC)C(CC)(CC)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 oral > 5gm/kg (5000mg/kg)   Defense des Vegetaux. Vol. 39(233), Pg. 2, 1985.
mouse LD50 intraperitoneal > 5gm/kg (5000mg/kg)   "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A670, Pg. 1984,
mouse LD50 oral > 10gm/kg (10000mg/kg)   Proceedings of the British Crop Protection Conference - Weeds. Vol. -, Pg. 47, 1982.
quail LD50 oral > 2gm/kg (2000mg/kg)   Pesticide Manual. Vol. 9, Pg. 510, 1991.
rabbit LD50 skin > 200mg/kg (200mg/kg)   Proceedings of the British Crop Protection Conference - Weeds. Vol. -, Pg. 47, 1982.
rat LC50 inhalation > 1990mg/m3 (1990mg/m3)   Proceedings of the British Crop Protection Conference - Weeds. Vol. -, Pg. 47, 1982.
rat LD50 intraperitoneal > 2gm/kg (2000mg/kg)   "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A670, Pg. 1984,
rat LD50 oral > 10gm/kg (10000mg/kg)   Proceedings of the British Crop Protection Conference - Weeds. Vol. -, Pg. 47, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 177.5 deg C   EXP
log P (octanol-water) 3.94 (none)   EXP
Water Solubility 1.42 mg/L 20 EXP
Vapor Pressure 4.13E-09 mm Hg 25 EXP
Henry's Law Constant 1.27E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.04E-10 cm3/molecule-sec 25 EST

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