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Substance Name: Orthobenzoic acid, p-tert-butyl-, cyclic ester with 2-tert-butyl-2-(hydroxymethyl)-1,3-propanediol
RN: 97720-21-3
InChIKey: ILNOGBUIXHFXPO-UHFFFAOYSA-N

Molecular Formula

  • C19-H28-O3

Molecular Weight

  • 304.427
 
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Names and Synonyms

Synonyms

  • 1-(4-tert-Butylphenyl)-4-tert-butylbicycloorthocarboxylate
  • 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-(1,1-dimethylethyl)phenyl)-

Systematic Name

  • Orthobenzoic acid, p-tert-butyl-, cyclic ester with 2-tert-butyl-2-(hydroxymethyl)-1,3-propanediol

Registry Numbers

CAS Registry Number

  • 97720-21-3

System Generated Number

  • 0097720213

Structure Descriptors

InChI

1S/C19H28O3/c1-16(2,3)14-7-9-15(10-8-14)19-20-11-18(12-21-19,13-22-19)17(4,5)6/h7-10H,11-13H2,1-6H3

InChIKey

ILNOGBUIXHFXPO-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 84mg/kg (84mg/kg)   Molecular Pharmacology. Vol. 28, Pg. 246, 1985.