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Substance Name: 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(phenylmethyl)-
RN: 97720-45-1
InChIKey: PNPMXIPTCMJBIC-UHFFFAOYSA-N

Molecular Formula

  • C16-H22-O3

Molecular Weight

  • 262.347
 
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Names and Synonyms

Synonyms

  • 1-Benzyl-4-tert-butylbicycloorthocarboxylate
  • 4-(1,1-Dimethylethyl)-1-(phenylmethyl)-2,6,7-trioxabicyclo(2.2.2)octane

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 97720-45-1

System Generated Number

  • 0097720451

Structure Descriptors

InChI

1S/C16H22O3/c1-14(2,3)15-10-17-16(18-11-15,19-12-15)9-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3

InChIKey

PNPMXIPTCMJBIC-UHFFFAOYSA-N

Smiles

C12(OCC(CO1)(CO2)C(C)(C)C)Cc1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 150mg/kg (150mg/kg)   Molecular Pharmacology. Vol. 28, Pg. 246, 1985.