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Substance Name: Orthobenzoic acid, cyclic ester with 2-(hydroxymethyl)-2-isopropyl-1,3-propanediol
RN: 70637-04-6
InChIKey: SKHLJGUMKUMLFO-UHFFFAOYSA-N

Molecular Formula

  • C14-H18-O3

Molecular Weight

  • 234.293
 
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Names and Synonyms

Synonym

  • 2,6,7-Trioxabicyclo(2.2.2)octane, 4-isopropyl-1-phenyl-

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 70637-04-6

System Generated Number

  • 0070637046

Structure Descriptors

InChI

1S/C14H18O3/c1-11(2)13-8-15-14(16-9-13,17-10-13)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3

InChIKey

SKHLJGUMKUMLFO-UHFFFAOYSA-N

Smiles

C12(OCC(CO1)(CO2)C(C)C)c1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 6mg/kg (6mg/kg)   Toxicology and Applied Pharmacology. Vol. 47, Pg. 287, 1979.