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Substance Name: 1,2-Propanediol, 3-(o-chlorophenoxy)-
RN: 5112-21-0
InChIKey: UEDJPYLQEIVDLD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H11-Cl-O3

Molecular Weight

  • 202.6359
 
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Names and Synonyms

Synonyms

  • 3-(o-Chlorophenoxy)-1,2-propanediol
  • 4-06-00-00790 (Beilstein Handbook Reference)
  • BRN 2260041
  • o-Chlorphenesin

Systematic Name

  • 1,2-Propanediol, 3-(o-chlorophenoxy)-

Registry Numbers

CAS Registry Number

  • 5112-21-0

System Generated Number

  • 0005112210

Structure Descriptors

InChI

1S/C9H11ClO3/c10-8-3-1-2-4-9(8)13-6-7(12)5-11/h1-4,7,11-12H,5-6H2

InChIKey

UEDJPYLQEIVDLD-UHFFFAOYSA-N

Smiles

OCC(O)COc1ccccc1Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 911mg/kg (911mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: MUSCLE WEAKNESS
Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 470, 1948.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 71.5 deg C   EXP
log P (octanol-water) 1.500 (none)   EST
Atmospheric OH Rate Constant 2.79E-11 cm3/molecule-sec 25 EST

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