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Substance Name: Orthobenzoic acid, cyclic ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol
RN: 70637-02-4
InChIKey: YXQANRITUWTASV-UHFFFAOYSA-N

Molecular Formula

  • C13-H16-O3

Molecular Weight

  • 220.2664
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 70637-02-4

System Generated Number

  • 0070637024

Structure Descriptors

InChI

1S/C13H16O3/c1-2-12-8-14-13(15-9-12,16-10-12)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3

InChIKey

YXQANRITUWTASV-UHFFFAOYSA-N

Smiles

CCC12COC(OC1)(OC2)c3ccccc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 9mg/kg (9mg/kg)   Toxicology and Applied Pharmacology. Vol. 47, Pg. 287, 1979.