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Substance Name: 1,3-Propanediol
RN: 504-63-2
UNII: 5965N8W85T
InChIKey: YPFDHNVEDLHUCE-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C3-H8-O2

Molecular Weight

  • 76.0942
 
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Names and Synonyms

Results Name

  • 1,3-Propanediol

Name of Substance

  • 1,3-Propanediol
  • Trimethylene glycol

Synonyms

  • 1,3-Dihydroxypropane
  • 1,3-Propanediol
  • 1,3-Propylene glycol
  • 1,3-Propylenediol
  • 2-(Hydroxymethyl)ethanol
  • 2-Deoxyglycerol
  • 4-01-00-02493 (Beilstein Handbook Reference)
  • AI3-01851
  • beta-Propylene glycol
  • BRN 0969155
  • EC 207-997-3
  • EINECS 207-997-3
  • HSDB 8263
  • NSC 65426
  • omega-Propanediol
  • PG
  • Trimethylene glycol
  • UNII-5965N8W85T

Systematic Names

  • 1,3-Propanediol
  • Propane-1,3-diol

Registry Numbers

CAS Registry Number

  • 504-63-2

FDA UNII

  • 5965N8W85T

Other Registry Numbers

  • 1629855-95-3
  • 757125-93-2

System Generated Number

  • 0000504632

Structure Descriptors

InChI

InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2

InChIKey

YPFDHNVEDLHUCE-UHFFFAOYSA-N

Smiles

OCCCO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo oral 3gm/kg (3000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Journal of Pharmacology and Experimental Therapeutics. Vol. 72, Pg. 227, 1941.
mouse LD50 intraperitoneal 4780mg/kg (4780mg/kg)   Toxicology and Applied Pharmacology. Vol. 49, Pg. 385, 1979.
mouse LD50 unreported 10930mg/kg (10930mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,
rabbit LDLo intravenous 3gm/kg (3000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Journal of Pharmacology and Experimental Therapeutics. Vol. 72, Pg. 227, 1941.
rat LDLo intramuscular 6gm/kg (6000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Journal of Pharmacology and Experimental Therapeutics. Vol. 72, Pg. 227, 1941.
rat LDLo oral 10gm/kg (10000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Journal of Pharmacology and Experimental Therapeutics. Vol. 72, Pg. 227, 1941.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -2.67E+01 deg C   EXP
Boiling Point 214.4 deg C   EXP
log P (octanol-water) -1.04E+00 (none)   EXP
Water Solubility 1.00E+06 mg/L 25 EST
Vapor Pressure 0.0441 mm Hg 25 EXP
Henry's Law Constant 1.74E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.73E-12 cm3/molecule-sec 25 EST

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