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Substance Name: 1,3-Dioxolane-4-methanol, 2-heptyl-2-methyl-
RN: 5660-50-4
InChIKey: XNARJYMHDDBRQP-UHFFFAOYSA-N

Molecular Formula

  • C12-H24-O3

Molecular Weight

  • 216.319
 
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Names and Synonyms

Synonyms

  • 2-Heptyl-2-methyl-1,3-dioxolane-4-methanol
  • 4-19-00-00684 (Beilstein Handbook Reference)
  • BRN 0111456

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 5660-50-4

System Generated Number

  • 0005660504

Structure Descriptors

InChI

1S/C12H24O3/c1-3-4-5-6-7-8-12(2)14-10-11(9-13)15-12/h11,13H,3-10H2,1-2H3

InChIKey

XNARJYMHDDBRQP-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1850ug/kg (1.85mg/kg)   "Principles of Medicinal Chemistry," Foye, W.O., et al., eds., Philadelphia, Lea & Febiger, 1974Vol. -, Pg. 245, 1974.