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Substance Name: Prenderol
RN: 115-76-4
UNII: A40PF8120T
InChIKey: XRVCFZPJAHWYTB-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Skin / Eye Irritant

Molecular Formula

  • C7-H16-O2

Molecular Weight

  • 132.201
 
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Names and Synonyms

Name of Substance

  • Prenderol

Synonyms

  • 2,2-Diethylpropanediol-1,3
  • 3,3-Bis(hydroxymethyl)pentane
  • 4-01-00-02589 (Beilstein Handbook Reference)
  • AI3-05584
  • BRN 1697711
  • DEP (VAN)
  • Di-aethyl-propanediol
  • Di-aethyl-propanediol [German]
  • Dietilpropandiolo
  • EINECS 204-103-3
  • MC 1415
  • NSC 12211
  • Prenderol
  • UNII-A40PF8120T

Systematic Names

  • 1,3-Propanediol, 2,2-diethyl-
  • 2,2-Diethylpropanediol

Superlist Names

  • 1,3-Propanediol, 2,2-diethyl-
  • 2,2-Diethyl-1,3-propanediol

Registry Numbers

CAS Registry Number

  • 115-76-4

FDA UNII

  • A40PF8120T

System Generated Number

  • 0000115764

Structure Descriptors

InChI

1S/C7H16O2/c1-3-7(4-2,5-8)6-9/h8-9H,3-6H2,1-2H3

InChIKey

XRVCFZPJAHWYTB-UHFFFAOYSA-N

Smiles

C(CC)(CC)(CO)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1220mg/kg (1220mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 100, Pg. 27, 1950.
mouse LD50 intraperitoneal 1220mg/kg (1220mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
Journal of Pharmacology and Experimental Therapeutics. Vol. 100, Pg. 27, 1950.
mouse LD50 intravenous 1170mg/kg (1170mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
Journal of Pharmacology and Experimental Therapeutics. Vol. 100, Pg. 27, 1950.
mouse LD50 oral 1550mg/kg (1550mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
Journal of Pharmacology and Experimental Therapeutics. Vol. 100, Pg. 27, 1950.
rabbit LD50 skin 4240uL/kg (4.24mL/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat LD50 intraperitoneal 700mg/kg (700mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 100, Pg. 27, 1950.
rat LD50 intraperitoneal 700mg/kg (700mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
Journal of Pharmacology and Experimental Therapeutics. Vol. 100, Pg. 27, 1950.
rat LD50 intravenous 635mg/kg (635mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: EXCITEMENT
Journal of Pharmacology and Experimental Therapeutics. Vol. 100, Pg. 27, 1950.
rat LD50 oral 850mg/kg (850mg/kg)   Union Carbide Data Sheet. Vol. 2/21/1958,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 61.5 deg C   EXP
Boiling Point 240.5 deg C   EXP
log P (octanol-water) 1.140 (none)   EST
Water Solubility 2.00E+05 mg/L 20 EXP
Vapor Pressure 5.81E-03 mm Hg 25 EST
Henry's Law Constant 5.39E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.10E-11 cm3/molecule-sec 25 EST

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