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Substance Name: 1,2-Propanediol dinitrate
RN: 6423-43-4
UNII: 4BY6T6Y8D1
InChIKey: PSXCGTLGGVDWFU-UHFFFAOYSA-N

Note

  • Major volatile constituent of Otto Fuel II liquid propellant that causes vasodilation, lowered blood pressure, methemoglobin formation; monoamine oxidase inhibitor.

Molecular Formula

  • C3-H6-N2-O6

Molecular Weight

  • 166.088
 

Classification Codes

Classification Codes

  • Human Data
  • Skin / Eye Irritant

Superlist Classification Code

  • TWA (0.05 ppm); skin; BEI
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Names and Synonyms

Name of Substance

  • 1,2-Propanediol dinitrate

Synonyms

  • 1,2-Propanediol dinitrate
  • 4-01-00-02497 (Beilstein Handbook Reference)
  • BRN 1709968
  • EINECS 229-180-0
  • HSDB 6823
  • Isopropylene nitrate
  • NSC 62614
  • PGDN
  • Propylene dinitrate
  • Propylene glycol 1,2-dinitrate
  • Propylene glycol dinitrate
  • Propylene nitrate
  • UNII-4BY6T6Y8D1

Systematic Names

  • 1,2-Propanediol, 1,2-dinitrate
  • 1,2-Propanediol, dinitrate
  • Propane-1,2-diyl dinitrate

Superlist Names

  • 1,2-Propanediol, dinitrate
  • 1,2-Propylene glycol dinitrate
  • Propylene glycol dinitrate

Registry Numbers

CAS Registry Number

  • 6423-43-4

FDA UNII

  • 4BY6T6Y8D1

System Generated Number

  • 0006423434

Structure Descriptors

InChI

1S/C3H6N2O6/c1-3(11-5(8)9)2-10-4(6)7/h3H,2H2,1H3

InChIKey

PSXCGTLGGVDWFU-UHFFFAOYSA-N

Smiles

C([C@@H](O[N+](=O)[O-])C)O[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo subcutaneous 200mg/kg (200mg/kg) BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)		 Toxicology and Applied Pharmacology. Vol. 15, Pg. 175, 1969.
guinea pig LD50 intraperitoneal 402mg/kg (402mg/kg)   American Industrial Hygiene Association Journal. Vol. 34, Pg. 526, 1973.
human TCLo inhalation 200ppb/6H (0.2ppm) BEHAVIORAL: HEADACHE Toxicology and Applied Pharmacology. Vol. 30, Pg. 377, 1974.
human TCLo inhalation 1500ppb/5M (1.5ppm) SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE Toxicology and Applied Pharmacology. Vol. 30, Pg. 377, 1974.
monkey LDLo intravenous 410mg/kg (410mg/kg) BEHAVIORAL: ATAXIA

GASTROINTESTINAL: NAUSEA OR VOMITING

SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE		 Toxicology and Applied Pharmacology. Vol. 22, Pg. 128, 1972.
mouse LD50 intraperitoneal 1047mg/kg (1047mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN

VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION		 American Industrial Hygiene Association Journal. Vol. 34, Pg. 526, 1973.
mouse LD50 oral 1525mg/kg (1525mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

CARDIAC: EKG CHANGES NOT DIAGNOSTIC OF ABOVE

BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN		 "Spravochnik po Toksikologii i Gigienicheskim Normativam Vol. -, Pg. 94, 1999.
mouse LD50 subcutaneous 1208mg/kg (1208mg/kg) BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES		 Toxicology and Applied Pharmacology. Vol. 15, Pg. 175, 1969.
rat LD50 intraperitoneal 479mg/kg (479mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN

VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION		 American Industrial Hygiene Association Journal. Vol. 34, Pg. 526, 1973.
rat LD50 oral 250mg/kg (250mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION

BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN		 American Industrial Hygiene Association Journal. Vol. 34, Pg. 526, 1973.
rat LD50 subcutaneous 463mg/kg (463mg/kg) BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES		 Toxicology and Applied Pharmacology. Vol. 15, Pg. 175, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Atmospheric OH Rate Constant 3.20E-13 cm3/molecule-sec 25 EXP

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