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Substance Name: 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-ethynylphenyl)-
RN: 108614-39-7
InChIKey: XSVQRILIPMKEMF-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Insecticide

Molecular Formula

  • C17-H20-O3

Molecular Weight

  • 272.342
 
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Names and Synonyms

Synonym

  • 4-tert-Butyl-1-(4-ethynylphenyl)-2,6,7-trioxabicyclo(2.2.2)-octane

Systematic Name

  • 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-ethynylphenyl)-

Registry Numbers

CAS Registry Number

  • 108614-39-7

System Generated Number

  • 0108614397

Structure Descriptors

InChI

1S/C17H20O3/c1-5-13-6-8-14(9-7-13)17-18-10-16(11-19-17,12-20-17)15(2,3)4/h1,6-9H,10-12H2,2-4H3

InChIKey

XSVQRILIPMKEMF-UHFFFAOYSA-N

Smiles

C12(OCC(CO1)(CO2)C(C)(C)C)c1ccc(cc1)C#C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 110ug/kg (0.11mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 39, Pg. 1329, 1991.