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Substance Name: Cyclohexaneorthocarboxylic acid, cyclic ester with 2-(hydroxymethyl)-2-isopropyl-1,3-propanediol
RN: 97720-36-0
InChIKey: XCIOJVMHHFNVEJ-UHFFFAOYSA-N

Molecular Formula

  • C14-H24-O3

Molecular Weight

  • 240.341
 
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Names and Synonyms

Synonyms

  • 1-Cyclohexyl-4-isopropylbicycloorthocarboxylate
  • 2,6,7-Trioxabicyclo(2.2.2)octane, 1-cyclohexyl-4-(1-methylethyl)-

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 97720-36-0

System Generated Number

  • 0097720360

Structure Descriptors

InChI

1S/C14H24O3/c1-11(2)13-8-15-14(16-9-13,17-10-13)12-6-4-3-5-7-12/h11-12H,3-10H2,1-2H3

InChIKey

XCIOJVMHHFNVEJ-UHFFFAOYSA-N

Smiles

C12(OCC(CO1)(CO2)C(C)C)C1CCCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 180mg/kg (180mg/kg)   Molecular Pharmacology. Vol. 28, Pg. 246, 1985.