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Substance Name: 1,3-Propanediol, 2-(hydroxymethyl)-2-methyl-, cyclic phosphate (1:1)
RN: 64049-51-0
InChIKey: SEOXVQTUPVKLTH-UHFFFAOYSA-N

Molecular Formula

  • C5-H9-O4-P

Molecular Weight

  • 164.096
 
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Names and Synonyms

Synonyms

  • 4-Methyl-2,6,7-trioxa-1-fosfabicyklo(2.2.2)oktan-1-oxid
  • 4-Methyl-2,6,7-trioxa-1-fosfabicyklo(2.2.2)oktan-1-oxid [Czech]
  • 4-Methyl-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane-1-oxide

Systematic Name

  • 1,3-Propanediol, 2-(hydroxymethyl)-2-methyl-, cyclic phosphate (1:1)

Registry Numbers

CAS Registry Number

  • 64049-51-0

System Generated Number

  • 0064049510

Structure Descriptors

InChI

1S/C5H9O4P/c1-5-2-7-10(6,8-3-5)9-4-5/h2-4H2,1H3

InChIKey

SEOXVQTUPVKLTH-UHFFFAOYSA-N

Smiles

P12(OCC(CO2)(CO1)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intravenous > 120mg/kg (120mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 13, Pg. 207, 1978.
mouse LD50 intraperitoneal 32mg/kg (32mg/kg)   Science. Vol. 182, Pg. 1135, 1973.