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Substance Name: Orthobutyric acid, cyclic ester with 2-(hydroxymethyl)-2-isopropyl-1,3-propanediol
RN: 70636-94-1
InChIKey: LUMBOKJJSSIFGR-UHFFFAOYSA-N

Molecular Formula

  • C11-H20-O3

Molecular Weight

  • 200.276
 
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Names and Synonyms

Synonym

  • 2,6,7-Trioxabicyclo(2.2.2)octane, 4-isopropyl-1-propyl-

Systematic Name

  • Orthobutyric acid, cyclic ester with 2-(hydroxymethyl)-2-isopropyl-1,3-propanediol

Registry Numbers

CAS Registry Number

  • 70636-94-1

System Generated Number

  • 0070636941

Structure Descriptors

InChI

1S/C11H20O3/c1-4-5-11-12-6-10(7-13-11,8-14-11)9(2)3/h9H,4-8H2,1-3H3

InChIKey

LUMBOKJJSSIFGR-UHFFFAOYSA-N

Smiles

CCCC12OCC(CO1)(CO2)C(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 29mg/kg (29mg/kg)   Toxicology and Applied Pharmacology. Vol. 47, Pg. 287, 1979.