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Substance Name: Orthopropionic acid, cyclic ester with 2-(tert-butyl)-2-(hydroxymethyl)-1,3-propanediol
RN: 70669-71-5
InChIKey: BETCWCIQIZIREC-UHFFFAOYSA-N

Molecular Formula

  • C11-H20-O3

Molecular Weight

  • 200.276
 
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Names and Synonyms

Synonyms

  • 1-Ethyl-4-tert-butylbicycloorthocarboxylate
  • 2,6,7-Trioxabicyclo(2.2.2)octane, 4-tert-butyl-1-ethyl-

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 70669-71-5

System Generated Number

  • 0070669715

Structure Descriptors

InChI

1S/C11H20O3/c1-5-11-12-6-10(7-13-11,8-14-11)9(2,3)4/h5-8H2,1-4H3

InChIKey

BETCWCIQIZIREC-UHFFFAOYSA-N

Smiles

C12(OCC(CO1)(CO2)C(C)(C)C)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 80mg/kg (80mg/kg)   Toxicology and Applied Pharmacology. Vol. 47, Pg. 287, 1979.