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Substance Name: Trinexapac-ethyl [ISO]
RN: 95266-40-3
UNII: Q89W563T9J
InChIKey: RVKCCVTVZORVGD-QXMHVHEDSA-N

Classification Codes

  • Agricultural Chemical
  • Growth Regulator
  • Growth Regulator / Fertilizer

Molecular Formula

  • C13-H16-O5

Molecular Weight

  • 252.2644
 
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Names and Synonyms

Results Name

  • Trinexapac-ethyl [ISO]

Name of Substance

  • Trinexapac-ethyl
  • Trinexapac-ethyl [ISO]

Synonyms

  • 4-(Cyclopropyl-alpha-hydroxymethylene)-3,5-dioxocyclohexanecarboxylic acid ethyl ester
  • Cimectacarb
  • Ethyl 4-(cyclopropylhydroxymethylene)-3,5-dioxocyclohexanecarboxylate
  • Moddus
  • Primo
  • Trinexapac-ethyl
  • UNII-Q89W563T9J

Systematic Name

  • Cyclohexanecarboxylic acid, 4-(cyclopropylhydroxymethylene)-3,5-dioxo-, ethyl ester

Superlist Names

  • Cimectacarb
  • EPA Pesticide Chemical Code 112602
  • Trinexapac-ethyl

Registry Numbers

CAS Registry Number

  • 95266-40-3

FDA UNII

  • Q89W563T9J

System Generated Number

  • 0095266403

Structure Descriptors

InChI

1S/C13H16O5/c1-2-18-13(17)8-5-9(14)11(10(15)6-8)12(16)7-3-4-7/h7-8,16H,2-6H2,1H3/b12-11-

InChIKey

RVKCCVTVZORVGD-QXMHVHEDSA-N

Smiles

C1CC1\C(O)=C1/C(=O)CC(C(=O)OCC)CC1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 5409mg/kg (5409mg/kg)   Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 22, Pg. 351, 1997.
rat LC50 inhalation > 5300mg/kg (5300mg/kg)   Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 22, Pg. 351, 1997.
rat LD50 oral 4460mg/kg (4460mg/kg)   Pesticide Manual. Vol. 9, Pg. 351, 1991.
rat LD50 skin > 4gm/kg (4000mg/kg)   Pesticide Manual. Vol. 9, Pg. 351, 1991.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 36 deg C   EXP
pKa Dissociation Constant 4.57 (none)   EXP
log P (octanol-water) 1.6 (none)   EXP
Water Solubility 2.8 mg/L 25 EXP
Vapor Pressure 1.62E-05 mm Hg 25 EXP
Henry's Law Constant 1.92E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.51E-11 cm3/molecule-sec 25 EST

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