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Substance Name: 4-Ethylphenol
RN: 123-07-9
UNII: AGG7E6G0ZC
InChIKey: HXDOZKJGKXYMEW-UHFFFAOYSA-N

Molecular Formula

  • C8-H10-O

Molecular Weight

  • 122.166
 
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Names and Synonyms

Name of Substance

  • 4-Ethylphenol

Synonyms

  • 1-Ethyl-4-hydroxybenzene
  • 1-Hydroxy-4-ethylbenzene
  • 4-06-00-03020 (Beilstein Handbook Reference)
  • 4-Ethylphenol
  • 4-Hydroxyethylbenzene
  • 4-Hydroxyphenylethane
  • AI3-26063
  • BRN 1363317
  • EINECS 204-598-6
  • FEMA No. 3156
  • HSDB 5598
  • Hydroxyphenylethane, p-
  • NSC 62012
  • p-Ethylphenol
  • para-Ethylphenol
  • Phenol, 4-ethyl-
  • Phenol, p-ethyl-
  • UNII-AGG7E6G0ZC

Systematic Names

  • 4-Ethylphenol
  • Phenol, 4-ethyl-
  • Phenol, p-ethyl-

Superlist Names

  • 4-Ethylphenol
  • p-Ethylphenol
  • Phenol, 4-ethyl-
  • Phenol, p-ethyl-

Registry Numbers

CAS Registry Number

  • 123-07-9

FDA UNII

  • AGG7E6G0ZC

Other Registry Number

  • 1326305-80-9

Related Registry Number

  • 19277-91-9 (hydrochloride salt)

System Generated Number

  • 0000123079

Structure Descriptors

InChI

1S/C8H10O/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H3

InChIKey

HXDOZKJGKXYMEW-UHFFFAOYSA-N

Smiles

c1(ccc(cc1)O)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 138mg/kg (138mg/kg)   Journal of Medicinal Chemistry. Vol. 18, Pg. 868, 1975.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 45 deg C   EXP
Boiling Point 217.9 deg C   EXP
pKa Dissociation Constant 10 (none) 25 EXP
log P (octanol-water) 2.58 (none)   EXP
Water Solubility 4900 mg/L 25 EXP
Vapor Pressure 0.0372 mm Hg 25 EXP
Henry's Law Constant 7.73E-07 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 4.18E-11 cm3/molecule-sec 25 EST

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