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Substance Name: Orthobenzoic acid, p-methyl-, cyclic ester with 2-(hydroxymethyl)-2-isopropyl-1,3-propanediol
RN: 97720-20-2
InChIKey: WSQOGCKFZSGVMC-UHFFFAOYSA-N

Molecular Formula

  • C15-H20-O3

Molecular Weight

  • 248.32
 
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Names and Synonyms

Synonyms

  • 1-(4-Methylphenyl)-4-isopropylbicycloorthocarboxylate
  • 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1-methylethyl)-1-(4-methylphenyl)-
  • p-Methylorthobenzoic acid cyclic ester with 2-(hydroxymethyl)-2-isopropyl-1,3-propanediol

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 97720-20-2

System Generated Number

  • 0097720202

Structure Descriptors

InChI

1S/C15H20O3/c1-11(2)14-8-16-15(17-9-14,18-10-14)13-6-4-12(3)5-7-13/h4-7,11H,8-10H2,1-3H3

InChIKey

WSQOGCKFZSGVMC-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 25mg/kg (25mg/kg)   Molecular Pharmacology. Vol. 28, Pg. 246, 1985.