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Substance Name: 1-Phenyl-2-propanol
RN: 698-87-3
UNII: 300Y7TB8EY
InChIKey: WYTRYIUQUDTGSX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H12-O

Molecular Weight

  • 136.193
 
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Names and Synonyms

Name of Substance

  • 1-Phenyl-2-propanol

Synonyms

  • 1-Phenyl-2-propanol
  • 2-Hydroxy-1-phenylpropane
  • 2-Propanol, 1-phenyl-
  • 4-06-00-03192 (Beilstein Handbook Reference)
  • AI3-05531
  • alpha-Methyl-phenethyl alcohol
  • alpha-Methylbenzeneethanol
  • Benzyl methyl carbinol
  • BRN 3195621
  • EINECS 211-821-0
  • NSC 53553
  • UNII-300Y7TB8EY

Systematic Names

  • 1-Phenylpropan-2-ol
  • Benzeneethanol, alpha-methyl-
  • Phenethyl alcohol, alpha-methyl-

Registry Numbers

CAS Registry Number

  • 698-87-3

FDA UNII

  • 300Y7TB8EY

Other Registry Number

  • 14898-87-4

System Generated Number

  • 0000698873

Structure Descriptors

InChI

1S/C9H12O/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3

InChIKey

WYTRYIUQUDTGSX-UHFFFAOYSA-N

Smiles

O[C@@H](C)Cc1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 520mg/kg (520mg/kg) BEHAVIORAL: ANTIPSYCHOTIC

BEHAVIORAL: ATAXIA
Journal of Pharmaceutical Sciences. Vol. 60, Pg. 799, 1971.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.97 (none)   EXP
Water Solubility 5840 mg/L 25 EST
Vapor Pressure 0.015 mm Hg 25 EST
Henry's Law Constant 3.83E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.47E-11 cm3/molecule-sec 25 EST

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