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Substance Name: Benzene, propoxy-
RN: 622-85-5
InChIKey: DSNYFFJTZPIKFZ-UHFFFAOYSA-N

Molecular Formula

  • C9-H12-O

Molecular Weight

  • 136.193
 
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Names and Synonyms

Synonyms

  • 4-06-00-00556 (Beilstein Handbook Reference)
  • AI3-24227
  • Benzene, propoxy-
  • BRN 1634987
  • EINECS 210-756-5
  • Propoxyphenyl
  • Propyl phenyl ether

Systematic Names

  • Benzene, propoxy-
  • Ether, propyl phenyl
  • Phenyl propyl ether

Registry Numbers

CAS Registry Number

  • 622-85-5

System Generated Number

  • 0000622855

Structure Descriptors

InChI

1S/C9H12O/c1-2-8-10-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3

InChIKey

DSNYFFJTZPIKFZ-UHFFFAOYSA-N

Smiles

c1(ccccc1)OCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 3400mg/kg (3400mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: EXCITEMENT

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Journal of Pharmacology and Experimental Therapeutics. Vol. 88, Pg. 400, 1946.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -2.70E+01 deg C   EXP
Boiling Point 189.9 deg C   EXP
log P (octanol-water) 3.18 (none)   EXP
Water Solubility 167 mg/L 25 EST
Vapor Pressure 0.549 mm Hg 25 EST
Henry's Law Constant 5.62E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.19E-11 cm3/molecule-sec 25 EST

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