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Substance Name: Paraldehyde [USP]
RN: 123-63-7
UNII: S6M3YBG8QA
InChIKey: SQYNKIJPMDEDEG-UHFFFAOYSA-N

Note

  • A hypnotic and sedative with anticonvulsant effects. However, because of the hazards associated with its administration, its tendency to react with plastic, and the risks associated with its deterioration, it has largely been superseded by other agents. It is still occasionally used to control status epilepticus resistant to conventional treatment. (From Martindale, The Extra Pharmacopoeia, 30th ed, p608-9)

Molecular Formula

  • C6-H12-O3

Molecular Weight

  • 132.158
 

Classification Codes

Classification Codes

  • Anticonvulsants
  • Central Nervous System Agents
  • Central Nervous System Depressants
  • Drug / Therapeutic Agent
  • Human Data
  • Hypnotics and Sedatives
  • Sedative-Hypnotic
  • Skin / Eye Irritant
  • TSCA Flag SP (Substance is Identified in a Proposed Significant New Use Rule)

Superlist Classification Codes

  • DEA Schedule IV
  • Reportable Quantity (RQ) = 1000 lb

Names and Synonyms

Name of Substance

  • Paraldehyde
  • Paraldehyde [USP]

MeSH Heading

  • Paraldehyde

Synonyms

  • 1,3,5-Trimethyl-2,4,6-trioxane
  • 1,3,5-Trioxane, 2,4,6-trimethyl-
  • 2,4,6-Trimethyl-1,3,5-trioxaan
  • 2,4,6-Trimethyl-1,3,5-trioxaan [Dutch]
  • 2,4,6-Trimethyl-1,3,5-trioxacyclohexane
  • 2,4,6-Trimethyl-1,3,5-trioxane
  • 2,4,6-Trimethyl-s-trioxane
  • 2,4,6-Trimetil-1,3,5-triossano
  • 2,4,6-Trimetil-1,3,5-triossano [Italian]
  • 5-19-09-00112 (Beilstein Handbook Reference)
  • Acetaldehyde, trimer
  • AI3-03115
  • BRN 0080142
  • EC 204-639-8
  • EINECS 204-639-8
  • Elaldehyde
  • HSDB 3375
  • NSC 9799
  • p-Acetaldehyde
  • Paracetaldehyde
  • Paral
  • Paraldehyd
  • Paraldehyd [German]
  • Paraldehyde
  • Paraldehyde Draught (BPC 1973)
  • Paraldehyde Enema (BPC 1973)
  • Paraldeide
  • Paraldeide [Italian]
  • RCRA waste number U182
  • s-Trimethyltrioxymethylene
  • Triacetaldehyde
  • Triacetaldehyde [French]
  • UNII-S6M3YBG8QA

Systematic Names

  • 1,3,5-Trioxane, 2,4,6-trimethyl-
  • 2,4,6-Trimethyl-1,3,5-trioxane
  • s-Trioxane, 2,4,6-trimethyl-

Superlist Names

  • 1,3,5-Trioxane, 2,4,6-trimethyl-
  • DEA No. 2585
  • Paraldehyde
  • Paraldehyde [UN1264] [Flammable liquid]
  • RCRA waste no. U182
  • UN1264

Registry Numbers

CAS Registry Number

  • 123-63-7

FDA UNII

  • S6M3YBG8QA

Other Registry Number

  • 51289-71-5

System Generated Number

  • 0000123637

Structure Descriptors

InChI

1S/C6H12O3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3

InChIKey

SQYNKIJPMDEDEG-UHFFFAOYSA-N

Smiles

C1(OC(OC(O1)C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo oral 3300mg/kg (3300mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935.
man LDLo rectal 333mg/kg (333mg/kg) GASTROINTESTINAL: NECROTIC GHANGES South African Medical Journal. Vol. 29, Pg. 1021, 1955.
man LDLo unreported 1462mg/kg (1462mg/kg)   "Poisoning; Toxicology, Symptoms, Treatments," 2nd ed., Arena, J.M., Springfield, IL, C.C. Thomas, 1970Vol. 2, Pg. 73, 1970.
man TDLo intramuscular 568mg/kg (568mg/kg)   British Journal of Psychiatry. Vol. 149, Pg. 650, 1986.
man TDLo intramuscular 568mg/kg (568mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP
British Journal of Psychiatry. Vol. 149, Pg. 650, 1986.
mouse LD50 intraperitoneal 1257mg/kg (1257mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 119, Pg. 19, 1957.
mouse LD50 oral 2750mg/kg (2750mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 119, Pg. 19, 1957.
rabbit LD50 oral 3304mg/kg (3304mg/kg)   Proceedings of the Society for Experimental Biology and Medicine. Vol. 29, Pg. 730, 1932.
rabbit LD50 skin 14100uL/kg (14.1mL/kg)   Union Carbide Data Sheet. Vol. 3/24/1970,
rat LCLo inhalation 4000ppm/4H (4000ppm)   Union Carbide Data Sheet. Vol. 3/24/1970,
rat LD50 oral 1530mg/kg (1530mg/kg)   Union Carbide Data Sheet. Vol. 3/24/1970,
rat LDLo intraperitoneal 2100mg/kg (2100mg/kg)   Toxicology and Applied Pharmacology. Vol. 1, Pg. 156, 1959.
rat LDLo subcutaneous 1650mg/kg (1650mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 182, Pg. 348, 1936.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 12.6 deg C   EXP
Boiling Point 124.3 deg C   EXP
log P (octanol-water) 0.67 (none)   EXP
Water Solubility 1.12E+05 mg/L 30 EXP
Vapor Pressure 11 mm Hg 25 EXP
Henry's Law Constant 1.71E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.18E-11 cm3/molecule-sec 25 EST

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