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Substance Name: Orthobenzoic acid, cyclic ester with 2-butyl-2-(hydroxymethyl)-1,3-propanediol
RN: 70637-01-3
InChIKey: HKBXBUSPPGNWTA-UHFFFAOYSA-N

Molecular Formula

  • C15-H20-O3

Molecular Weight

  • 248.32
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 70637-01-3

System Generated Number

  • 0070637013

Structure Descriptors

InChI

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

InChIKey

HKBXBUSPPGNWTA-UHFFFAOYSA-N

Smiles

CCCCC12COC(OC1)(OC2)c3ccccc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 18mg/kg (18mg/kg)   Toxicology and Applied Pharmacology. Vol. 47, Pg. 287, 1979.