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Substance Name: Orthoacetic acid, cyclic ester with 2-(tert-butyl)-2-(hydroxymethyl)-1,3-propanediol
RN: 70636-88-3
InChIKey: RFOOWUVDJFJZDN-UHFFFAOYSA-N

Molecular Formula

  • C10-H18-O3

Molecular Weight

  • 186.249
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 70636-88-3

System Generated Number

  • 0070636883

Structure Descriptors

InChI

1S/C10H18O3/c1-8(2,3)10-5-11-9(4,12-6-10)13-7-10/h5-7H2,1-4H3

InChIKey

RFOOWUVDJFJZDN-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1300ug/kg (1.3mg/kg)   Molecular Pharmacology. Vol. 28, Pg. 246, 1985.