Product Name

  • Name

    ISOXABEN

  • EINECS
  • CAS No. 82558-50-7
  • Article Data5
  • CAS DataBase
  • Density 1.138g/cm3
  • Solubility
  • Melting Point 175-179 °C
  • Formula C18H24 N2 O4
  • Boiling Point 427.8oC at 760 mmHg
  • Molecular Weight 332.4
  • Flash Point 212.6oC
  • Transport Information
  • Appearance
  • Safety A poison by skin contact. Moderately toxic by inhalation and intraperitoneal routes. When heated to decomposition it emits toxic vapors of NOx.
  • Risk Codes 53-40
  • Molecular Structure Molecular Structure of 82558-50-7 (ISOXABEN)
  • Hazard Symbols
  • Synonyms Benzamizole;Cent 7; EL 107; Flexidor; Gallery; Isoxaben; NA 8318; X-Pand
  • PSA 73.59000
  • LogP 3.61400

Isoxaben Chemical Properties

Product Name: Isoxaben (CAS NO.82558-50-7)


Molecular Formula: : C18H24N2O4
Molecular Weight: 332.39g/mol
Mol File: 82558-50-7.mol
Einecs: 407-190-8
Melting Point: 175-179 °C
Storage Temperature: 0-6°C
XLogP3-AA: 3.9
H-Bond Donor: 1
H-Bond Acceptor: 5
Structure Descriptors of Isoxaben (CAS NO.82558-50-7):
  IUPAC Name: 2,6-dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide
  Canonical SMILES: CCC(C)(CC)C1=NOC(=C1)NC(=O)C2=C(C=CC=C2OC)OC
  InChI: 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
Product Categories: Alpha sort; Alphabetic; AmidePesticides&Metabolites; Herbicides; H-MAnalytical Standards; I; Pesticides&Metabolites

Isoxaben Toxicity Data With Reference

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.

Isoxaben Safety Profile

A poison by skin contact. Moderately toxic by inhalation and intraperitoneal routes. When heated to decomposition it emits toxic vapors of NOx.
Safety Information of Isoxaben (CAS NO.82558-50-7):
Hazard Codes: Xn
Risk Statements: 53-40 
40:  Limited evidence of a carcinogenic effect 
53:  May cause long-term adverse effects in the aquatic environment 
Safety Statements: 61-36
36:  Wear suitable protective clothing  
61:  Avoid release to the environment. Refer to special instructions safety data sheet 

Isoxaben Specification

 Isoxaben ,its CAS NO. is 82558-50-7,the synonyms is 2,6-Dimethoxy-N-(3-(1-ethyl-1-methylpropyl)-5-isoxazolyl)benzamide ; Benzamizole ; Caswell No. 419F ; Cent 7 ; Compound 121607 ; EL 107 ; EPA Pesticide Chemical Code 125851 ; Flexidor ; Gallery ; HSDB 6691 ; N-(3-(1-Ethyl-1-methylpropyl)-5-isoxazolyl)-2,6-dimethoxybenzamide ; NA 8318 ; Prolan ; X-Pand ; Benzamide, 2,6-dimethoxy-N-(3-(1-ethyl-1-methylpropyl)-5-isoxazolyl)- ; Benzamide, N-(3-(1-ethyl-1-methylpropyl)-5-isoxazolyl)-2,6-dimethoxy- .

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