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Substance Name: Heptanal 1,2-glyceryl acetal
RN: 1708-35-6
UNII: 63ZBP77DDC
InChIKey: TYRXGKKCQUIWGI-UHFFFAOYSA-N

Molecular Formula

  • C10-H20-O3

Molecular Weight

  • 188.265
 
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Names and Synonyms

Name of Substance

  • Heptanal 1,2-glyceryl acetal

Synonyms

  • 2-Hexyl-1,3-dioxolane-4-methanol
  • 4-19-00-00680 (Beilstein Handbook Reference)
  • BRN 0108185
  • EINECS 216-960-0
  • FEMA No. 2542
  • Heptanal glyceryl acetal
  • Heptanal glyceryl acetal (1,2 acetal)
  • Heptanal, 1,2-glyceryl acetal
  • Heptanal, cyclic (hydroxymethyl)ethylene acetal
  • UNII-63ZBP77DDC

Systematic Names

  • 1,3-Dioxolane-4-methanol, 2-hexyl-
  • 2-Hexyl-1,3-dioxolane-4-methanol

Registry Numbers

CAS Registry Number

  • 1708-35-6

FDA UNII

  • 63ZBP77DDC

System Generated Number

  • 0001708356

Structure Descriptors

InChI

1S/C10H20O3/c1-2-3-4-5-6-10-12-8-9(7-11)13-10/h9-11H,2-8H2,1H3

InChIKey

TYRXGKKCQUIWGI-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 439mg/kg (439mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) Archives Internationales de Pharmacodynamie et de Therapie. Vol. 85, Pg. 474, 1951.