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Substance Name: 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1-methylethyl)-1-(1-methylpropyl)-
RN: 97720-29-1
InChIKey: FSZZMPMRPOQWTD-UHFFFAOYSA-N

Molecular Formula

  • C12-H22-O3

Molecular Weight

  • 214.303
 
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Names and Synonyms

Synonyms

  • 1-sec-Butyl-4-isopropylbicycloorthocarboxylate
  • 4-(1-Methylethyl)-1-(1-methylpropyl)-2,6,7-trioxabicyclo(2.2.2)octane

Systematic Name

  • 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1-methylethyl)-1-(1-methylpropyl)-

Registry Numbers

CAS Registry Number

  • 97720-29-1

System Generated Number

  • 0097720291

Structure Descriptors

InChI

1S/C12H22O3/c1-5-10(4)12-13-6-11(7-14-12,8-15-12)9(2)3/h9-10H,5-8H2,1-4H3

InChIKey

FSZZMPMRPOQWTD-UHFFFAOYSA-N

Smiles

C12(OCC(CO1)(CO2)C(C)C)[C@@H](CC)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 500mg/kg (500mg/kg)   Molecular Pharmacology. Vol. 28, Pg. 246, 1985.