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Substance Name: 1,3-Diphenoxy-2-propanol
RN: 622-04-8
UNII: RTO1IF8E7Z
InChIKey: NKCVHIPHZCIEFC-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C15-H16-O3

Molecular Weight

  • 244.288
 
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Names and Synonyms

Name of Substance

  • 1,3-Diphenoxy-2-propanol

Synonyms

  • 1,2,3-Propanetriol, 1,3-diphenyl diether
  • 1,3-Difenoxy-2-propanol
  • 1,3-Diphenoxy-2-propanol
  • 4-06-00-00590 (Beilstein Handbook Reference)
  • AI3-08138
  • BRN 1882894
  • EINECS 210-718-8
  • Glycerol 1,3-diphenyl ether
  • Glyceryl alpha,gamma-diphenyl ether
  • NSC 6802
  • NSC 71510
  • UNII-RTO1IF8E7Z

Systematic Names

  • 1,3-Diphenoxypropan-2-ol
  • 2-Propanol, 1,3-diphenoxy-

Registry Numbers

CAS Registry Number

  • 622-04-8

FDA UNII

  • RTO1IF8E7Z

System Generated Number

  • 0000622048

Structure Descriptors

InChI

1S/C15H16O3/c16-13(11-17-14-7-3-1-4-8-14)12-18-15-9-5-2-6-10-15/h1-10,13,16H,11-12H2

InChIKey

NKCVHIPHZCIEFC-UHFFFAOYSA-N

Smiles

c1(OCC(COc2ccccc2)O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04474,
rabbit LD50 skin 15800uL/kg (15.8mL/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.
rat LD50 oral 1450mg/kg (1450mg/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 81.5 deg C   EXP
log P (octanol-water) 2.760 (none)   EST
Atmospheric OH Rate Constant 6.22E-11 cm3/molecule-sec 25 EST

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