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Substance Name: Dikegulac-sodium [ISO]
RN: 52508-35-7
UNII: 3M4815901H
InChIKey: DEWVPZYHFVYXMZ-QCILGFJPSA-M

Classification Codes

  • Agricultural Chemical
  • Growth Regulator / Fertilizer
  • Plant Growth Regulator

Molecular Formulas

  • C12-H17-O7.Na
  • C12-H18-O7.Na

Molecular Weight

  • 296.2493
 
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Names and Synonyms

Results Name

  • Dikegulac-sodium [ISO]

Name of Substance

  • Sodium 2,3:4,6-di-O-isopropylidene-alpha-L-xylo-2-hexulofuranosonate

Synonyms

  • 2,3':4,6-Bis-O-(1-methylethylidene)-alpha-L-xylo-2-hexulofuranosonic acid sodium salt
  • Atrinal
  • Caswell No. 098AA
  • Cutlass
  • Dikegulac
  • Dikegulac sodium
  • Dikegulac [ANSI]
  • Dikegulac [German]
  • Dikegulac-sodium
  • EINECS 257-976-8
  • EPA Pesticide Chemical Code 109601
  • HSDB 8032
  • Natrium-2,3:4,6-di-O-isopropyliden-2-keto-L-gulonat
  • Natrium-2,3:4,6-di-O-isopropyliden-2-keto-L-gulonat [German]
  • Ro 7-6145
  • UNII-3M4815901H

Systematic Names

  • alpha-L-xylo-2-Hexulofuranosonic acid, 2,3:4,6-bis-O-(1-methylethylidene)-, sodium salt
  • Sodium 2,3:4,6-di-O-isopropylidene-alpha-L-xylo-2-hexulofuranosonate

Superlist Names

  • Dikegulac sodium
  • Sodium 2,3:4,6-bis-O-(1-methylethylidine)-alpha-L-xylo-2-hexulofuranosonate

Registry Numbers

CAS Registry Number

  • 52508-35-7

FDA UNII

  • 3M4815901H

Other Registry Numbers

  • 55600-00-5
  • 55819-26-6
  • 62938-94-7

System Generated Number

  • 0052508357

Molecular Formulas

Molecular Formulas

  • C12-H17-O7.Na
  • C12-H18-O7.Na

Molecular Formula Fragments

  • C12-H17-O7
  • C12-H18-O7
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C12H18O7.Na/c1-10(2)15-5-6-7(17-10)8-12(16-6,9(13)14)19-11(3,4)18-8;/h6-8H,5H2,1-4H3,(H,13,14);/q;+1/p-1/t6-,7+,8-,12+;/m0./s1

InChIKey

DEWVPZYHFVYXMZ-QCILGFJPSA-M

Smiles

[Na+].CC1(C)OC[C@@H]2O[C@]3(OC(C)(C)O[C@H]3[C@@H]2O1)C(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LC50 inhalation > 400mg/m3 (400mg/m3)   "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A149, Pg. 1983,
mouse LD50 oral 19500mg/kg (19500mg/kg)   "Wirksubstanzen der Pflanzenschutz und Schadlingsbekampfungsmittel," Perkow, W., Berlin, Verlag Paul Parey, 1971-1976Vol. -, Pg. -, 1971/1976.
rabbit LD50 skin > 1gm/kg (1000mg/kg)   Farm Chemicals Handbook. Vol. -, Pg. C107, 1991.
rat LD50 oral 18gm/kg (18000mg/kg)   Farm Chemicals Handbook. Vol. -, Pg. C107, 1991.
rat LD50 skin > 1gm/kg (1000mg/kg)   Pesticide Manual. Vol. 9, Pg. 286, 1991.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -2.050 (none)   EST
Water Solubility 5.90E+05 mg/L 25 EXP
Atmospheric OH Rate Constant 5.27E-11 cm3/molecule-sec 25 EST

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