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Substance Name: 1,3-Dioxolane-4-methanol, 2-hexyl-2-methyl-
RN: 5660-52-6
InChIKey: IYIHUBAPCSTQLS-UHFFFAOYSA-N

Molecular Formula

  • C11-H22-O3

Molecular Weight

  • 202.292
 
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Names and Synonyms

Synonyms

  • 2-Hexyl-2-methyl-1,3-dioxolane-4-methanol
  • 2-Octanone, cyclic (hydroxymethyl)ethylene acetal
  • 4-19-00-00683 (Beilstein Handbook Reference)
  • AI3-14281
  • BRN 0108837
  • NSC 27574

Systematic Name

  • 1,3-Dioxolane-4-methanol, 2-hexyl-2-methyl-

Registry Numbers

CAS Registry Number

  • 5660-52-6

System Generated Number

  • 0005660526

Structure Descriptors

InChI

1S/C11H22O3/c1-3-4-5-6-7-11(2)13-9-10(8-12)14-11/h10,12H,3-9H2,1-2H3

InChIKey

IYIHUBAPCSTQLS-UHFFFAOYSA-N

Smiles

O1[C@@](OC[C@@H]1CO)(CCCCCC)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 3070ug/kg (3.07mg/kg)   "Principles of Medicinal Chemistry," Foye, W.O., et al., eds., Philadelphia, Lea & Febiger, 1974Vol. -, Pg. 245, 1974.