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Substance Name: 3-Phenylpropanol
RN: 122-97-4
UNII: U04IC2765C
InChIKey: VAJVDSVGBWFCLW-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C9-H12-O

Molecular Weight

  • 136.1928
 
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Names and Synonyms

Results Name

  • 3-Phenylpropanol

Name of Substance

  • 3-Phenylpropanol-1

Synonyms

  • (3-Hydroxypropyl)benzene
  • 1-Hydroxy-3-phenylpropane
  • 1-Propanol, 3-phenyl-
  • 3-Benzenepropanol
  • 3-Phenyl-1-propanol
  • 3-Phenyl-1-propanol (natural)
  • 3-Phenyl-n-propanol
  • 3-Phenylpropanol
  • 3-Phenylpropyl alcohol
  • 4-06-00-03198 (Beilstein Handbook Reference)
  • AI3-02067
  • Benzenepropanol
  • Benzylethyl alcohol
  • BRN 1857542
  • CCRIS 3200
  • Dihydrocinnamal alcohol
  • EINECS 204-587-6
  • FEMA No. 2885
  • gamma-Phenylpropanol
  • HSDB 8266
  • Hydrocinnamic alcohol
  • Hydrocinnamyl alcohol
  • NSC 16942
  • Phenylpropyl alcohol
  • UNII-U04IC2765C

Systematic Names

  • 1-Propanol, 3-phenyl-
  • 3-Phenylpropan-1-ol
  • 3-Phenylpropanol
  • Benzenepropanol

Superlist Name

  • 3-Phenyl-1-propanol

Registry Numbers

CAS Registry Number

  • 122-97-4

FDA UNII

  • U04IC2765C

System Generated Number

  • 0000122974

Structure Descriptors

InChI

1S/C9H12O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2

InChIKey

VAJVDSVGBWFCLW-UHFFFAOYSA-N

Smiles

c1(ccccc1)CCCO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 893, 1979.
rat LD50 oral 2300mg/kg (2300mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 893, 1979.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.80E+01 deg C   EXP
Boiling Point 235 deg C   EXP
log P (octanol-water) 1.88 (none)   EXP
Water Solubility 5680 mg/L 25 EXP
Henry's Law Constant 2.03E-07 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 1.16E-11 cm3/molecule-sec 25 EST

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