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Substance Name: Triethylene glycol dinitrate
RN: 111-22-8
InChIKey: AGCQZYRSTIRJFM-UHFFFAOYSA-N

Molecular Formula

  • C6-H12-N2-O8

Molecular Weight

  • 240.167
 
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Names and Synonyms

Name of Substance

  • Triethylene glycol dinitrate

Synonyms

  • 4-01-00-02412 (Beilstein Handbook Reference)
  • BRN 1714096
  • EINECS 203-847-6
  • TEGDN

Systematic Names

  • 2,2'-(1,2-Ethanediylbis(oxy))bisethanol, dinitrate
  • 2,2'-(Ethane-1,2-diylbis(oxy))bisethyl dinitrate
  • Ethanol, 2,2'-((1,2-ethanediyl)bis(oxy))bis-, 1,1'-dinitrate
  • Ethanol, 2,2'-(1,2-ethanediylbis(oxy))bis-, dinitrate
  • Triethylene glycol, dinitrate

Registry Numbers

CAS Registry Number

  • 111-22-8

System Generated Number

  • 0000111228

Structure Descriptors

InChI

1S/C6H12N2O8/c9-7(10)15-5-3-13-1-2-14-4-6-16-8(11)12/h1-6H2

InChIKey

AGCQZYRSTIRJFM-UHFFFAOYSA-N

Smiles

[N+](OCCOCCOCCO[N+]([O-])=O)([O-])=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 intraperitoneal 700mg/kg (700mg/kg)   American Industrial Hygiene Association Journal. Vol. 34, Pg. 526, 1973.
mouse LD50 intraperitoneal 945mg/kg (945mg/kg) VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION

BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
American Industrial Hygiene Association Journal. Vol. 34, Pg. 526, 1973.
mouse LD50 oral 1866mg/kg (1866mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 12, Pg. 606, 1993.
rabbit LD skin > 2gm/kg (2000mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: IRRITABILITY

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 12, Pg. 604, 1993.
rat LD50 intraperitoneal 796mg/kg (796mg/kg) BEHAVIORAL: IRRITABILITY

BEHAVIORAL: TREMOR

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
American Industrial Hygiene Association Journal. Vol. 34, Pg. 526, 1973.
rat LD50 oral 1gm/kg (1000mg/kg) VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN
American Industrial Hygiene Association Journal. Vol. 34, Pg. 526, 1973.
rat LD50 subcutaneous 2520mg/kg (2520mg/kg) BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION
American Industrial Hygiene Association Journal. Vol. 34, Pg. 526, 1973.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.620 (none)   EST
Water Solubility 6600 mg/L 25 EXP
Atmospheric OH Rate Constant 1.73E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.