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Substance Name: Phenylglyceryl ether
RN: 538-43-2
UNII: 38D39W41IJ
InChIKey: FNQIYTUXOKTMDM-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C9-H12-O3

Molecular Weight

  • 168.191
 
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Names and Synonyms

Name of Substance

  • Phenylglyceryl ether

Synonyms

  • 1-Fenoxy-2,3-propandiol
  • 1-Fenoxy-2,3-propandiol [Czech]
  • 1-Phenoxy-2,3-propanediol
  • 3-Phenoxy-1,2-propanediol
  • 4-06-00-00589 (Beilstein Handbook Reference)
  • alpha-Phenyl monoglyceryl ether
  • Antodyn
  • Antodyne
  • BRN 1869155
  • EINECS 208-692-8
  • Glycerol alpha-monophenyl ether
  • Glycerol alpha-phenyl ether
  • NSC 406489
  • Phenol glycerol ether
  • Phenol glyceryl ether
  • Phenol-glycerinaether
  • Phenol-glycerinaether [German]
  • Phenyl-alpha-glycerol ether
  • Phenylglyceryl ether
  • U 27,462
  • UNII-38D39W41IJ

Systematic Names

  • 1,2-Propanediol, 3-phenoxy-
  • 1,2-Propanediol,3-phenoxy-
  • 3-Phenoxypropane-1,2-diol

Registry Numbers

CAS Registry Number

  • 538-43-2

FDA UNII

  • 38D39W41IJ

System Generated Number

  • 0000538432

Structure Descriptors

InChI

1S/C9H12O3/c10-6-8(11)7-12-9-4-2-1-3-5-9/h1-5,8,10-11H,6-7H2

InChIKey

FNQIYTUXOKTMDM-UHFFFAOYSA-N

Smiles

c1(OC[C@@H](CO)O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 oral > 5gm/kg (5000mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 39(4), Pg. 86, 1974.
mouse LD50 intraperitoneal 1240mg/kg (1240mg/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.
mouse LD50 oral 2650mg/kg (2650mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)
Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 8, Pg. 477, 1949.
mouse LD50 subcutaneous 920mg/kg (920mg/kg) AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)" Arzneimittel-Forschung. Drug Research. Vol. 15, Pg. 1355, 1965.
rat LD oral > 500mg/kg (500mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 16, 1953.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 67.5 deg C   EXP
log P (octanol-water) 0.7 (none)   EXP
Water Solubility 1.58E+04 mg/L 25 EST
Vapor Pressure 2.00E-05 mm Hg 25 EST
Henry's Law Constant 7.51E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.31E-11 cm3/molecule-sec 25 EST

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