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Substance Name: Sethoxydim [BSI:ISO]
RN: 74051-80-2
UNII: 1189NNQ8F6
InChIKey: CSPPKDPQLUUTND-NBVRZTHBSA-N

Classification Codes

  • Agricultural Chemical
  • Herbicide

Molecular Formula

  • C17-H29-N-O3-S

Molecular Weight

  • 327.486
 

Names and Synonyms

Results Name

  • Sethoxydim [BSI:ISO]

Name of Substance

  • Sethoxydim
  • Sethoxydim [BSI:ISO]

Synonyms

  • (+-)-(ZE)-2-(1-Ethoxyiminobutyl)-5-(2-(ethylthio)propyl)-3-hydroxycyclohex-2-enone
  • 2-(1-(Ethoxyimino)butyl)-5-(2-(ethylthio)propyl)-3-hydroxy-2-cyclohexen-1-one
  • Aljaden
  • BAS 9052
  • BAS 90520H
  • BAS 9052H
  • BRN 5955471
  • Caswell No. 072A
  • Checkmate
  • Cyethoxydim
  • EINECS 277-682-3
  • EPA Pesticide Chemical Code 121001
  • Expand
  • Fervinal
  • Grasidim
  • HSDB 7342
  • NABU
  • NP 55
  • Poast
  • Sethoxydim
  • Sethoxydime
  • Sethoxydime [ISO-French]
  • SN 81742
  • Tritex-extra
  • UNII-1189NNQ8F6

Systematic Names

  • 2-(1-(Ethoxyimino)butyl)-5-(2-ethylthiopropyl)-3-hydroxycyclohex-2-en-1-one
  • 2-Cyclohexen-1-one, 2-(1-(ethoxyimino)butyl)-5-(2-(ethylthio)propyl)-3-hydroxy-

Superlist Names

  • 2-(1-(Ethoxyimino)butyl)-5-(2-(ethylthio)propyl)-3-hydroxy-2-cyclohexen-1-one
  • Sethoxydim

Registry Numbers

CAS Registry Number

  • 74051-80-2

FDA UNII

  • 1189NNQ8F6

Other Registry Numbers

  • 73468-19-6
  • 74433-80-0
  • 77107-41-6

System Generated Number

  • 0074051802

Structure Descriptors

InChI

1S/C17H29NO3S/c1-5-8-14(18-21-6-2)17-15(19)10-13(11-16(17)20)9-12(4)22-7-3/h12-13,19H,5-11H2,1-4H3/b18-14+

InChIKey

CSPPKDPQLUUTND-NBVRZTHBSA-N

Smiles

C=1(\C(=N\OCC)CCC)C(C[C@@H](C[C@@H](SCC)C)CC1O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 485mg/kg (485mg/kg)   Japan Pesticide Information. Vol. (41), Pg. 18, 1982.
mouse LD50 oral 5600mg/kg (5600mg/kg)   Japan Pesticide Information. Vol. (41), Pg. 18, 1982.
mouse LD50 skin 5gm/kg (5000mg/kg)   Japan Pesticide Information. Vol. (41), Pg. 18, 1982.
quail LD50 unreported > 5gm/kg (5000mg/kg)   Japan Pesticide Information. Vol. (41), Pg. 18, 1982.
rabbit LD50 oral 4600mg/kg (4600mg/kg)   Defense des Vegetaux. Vol. 38, Pg. 213, 1984.
rat LC50 inhalation > 6280mg/m3/4H (6280mg/m3)   Farm Chemicals Handbook. Vol. -, Pg. C274, 1991.
rat LD50 intraperitoneal 1493mg/kg (1493mg/kg)   Defense des Vegetaux. Vol. 38, Pg. 213, 1984.
rat LD50 intravenous 505mg/kg (505mg/kg)   Japan Pesticide Information. Vol. (41), Pg. 18, 1982.
rat LD50 oral 3200mg/kg (3200mg/kg)   Farm Chemicals Handbook. Vol. -, Pg. C274, 1991.
rat LD50 skin 5gm/kg (5000mg/kg)   Japan Pesticide Information. Vol. (41), Pg. 18, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
pKa Dissociation Constant 4.58 (none) 25 EXP
log P (octanol-water) 4.38 (none)   EXP
Water Solubility 25 mg/L 20 EXP
Vapor Pressure 4.55E-10 mm Hg 25 EST
Henry's Law Constant 2.16E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.45E-10 cm3/molecule-sec 25 EST

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