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Substance Name: Phenylpropanol [JAN]
RN: 93-54-9
UNII: 0F897O3O4M
InChIKey: DYUQAZSOFZSPHD-UHFFFAOYSA-N

Molecular Formula

  • C9-H12-O

Molecular Weight

  • 136.193
 
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Names and Synonyms

Name of Substance

  • 1-Phenylpropanol
  • alpha-Ethylbenzyl alcohol
  • Phenylpropanol [JAN]

Synonyms

  • 1-Phenyl-1-hydroxypropane
  • 1-Phenyl-1-propanol
  • 1-Phenylpropanol
  • 1-Phenylpropyl alcohol
  • 1-Propanol, 1-phenyl-
  • 4-06-00-03183 (Beilstein Handbook Reference)
  • AI3-19819
  • alpha-Ethylbenzenemethanol
  • alpha-Ethylbenzyl alcohol
  • alpha-Hydroxypropylbenzene
  • Benzenemethanol, alpha-ethyl-
  • Benzyl alcohol, alpha-ethyl-
  • Bilergon
  • BRN 1906759
  • Carbicol
  • Choleda
  • EC 202-256-0
  • EINECS 202-256-0
  • Ejibil
  • Epatoxfen
  • Ethyl phenyl carbinol
  • Felicur
  • Felitrope
  • FEMA No. 2884
  • Fenicol
  • Fenicol (VAN)
  • Fepar
  • Gallenperlen
  • Livonal
  • NSC 25504
  • Phenicol
  • Phenychol
  • Phenycholon
  • Phenyl ethyl carbinol
  • Phenylaethylcarbinol
  • Phenylaethylcarbinol [German]
  • Phenylchol
  • Phenylcholon
  • Phenylpropanol
  • SH 261
  • Unichol
  • UNII-0F897O3O4M

Systematic Names

  • 1-Phenylpropan-1-ol
  • 1-Phenylpropanol
  • Benzenemethanol, alpha-ethyl- (9CI)
  • Benzyl alcohol, alpha-ethyl-

Superlist Name

  • alpha-Ethylbenzyl alcohol

Registry Numbers

CAS Registry Number

  • 93-54-9

FDA UNII

  • 0F897O3O4M

System Generated Number

  • 0000093549

Structure Descriptors

InChI

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

InChIKey

DYUQAZSOFZSPHD-UHFFFAOYSA-N

Smiles

c1([C@@H](CC)O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 500mg/kg (500mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 116, Pg. 154, 1958.
mouse LD50 subcutaneous 700mg/kg (700mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 116, Pg. 154, 1958.
mouse LD50 unreported 1gm/kg (1000mg/kg)   German Offenlegungsschrift Patent Document. Vol. #2035334,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 219 deg C   EXP
log P (octanol-water) 1.980 (none)   EST
Atmospheric OH Rate Constant 1.44E-11 cm3/molecule-sec 25 EST

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