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Substance Name: Orthoformic acid, cyclic ester with 2-(tert-butyl)-2-(hydroxymethyl)-1,3-propanediol
RN: 70636-87-2
InChIKey: GMBZHAZDIZEIMO-UHFFFAOYSA-N

Molecular Formula

  • C9-H16-O3

Molecular Weight

  • 172.222
 
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Names and Synonyms

Synonyms

  • 2,6,7-Trioxabicyclo(2.2.2)octane, 4-tert-butyl-
  • 4-tert-Butylbicycloorthocarboxylate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 70636-87-2

System Generated Number

  • 0070636872

Structure Descriptors

InChI

1S/C9H16O3/c1-8(2,3)9-4-10-7(11-5-9)12-6-9/h7H,4-6H2,1-3H3

InChIKey

GMBZHAZDIZEIMO-UHFFFAOYSA-N

Smiles

C12OCC(CO1)(CO2)C(C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 7mg/kg (7mg/kg)   Toxicology and Applied Pharmacology. Vol. 47, Pg. 287, 1979.