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Substance Name: 4-Isopropylphenol
RN: 99-89-8
UNII: 9F59JOO816
InChIKey: YQUQWHNMBPIWGK-UHFFFAOYSA-N

Molecular Formula

  • C9-H12-O

Molecular Weight

  • 136.193
 
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Names and Synonyms

Name of Substance

  • 4-Isopropylphenol

Synonyms

  • 1-Hydroxy-4-isopropylbenzene
  • 4-(1-Methylethyl)phenol
  • 4-06-00-03215 (Beilstein Handbook Reference)
  • 4-Isopropylphenol
  • Australol
  • BRN 1363564
  • EINECS 202-798-8
  • NSC 1888
  • p-Cumenol
  • p-Isopropylphenol
  • Phenol, 4-(1-methylethyl)-
  • Prodox 133
  • UNII-9F59JOO816

Systematic Names

  • p-Isopropylphenol
  • Phenol, 4-(1-methylethyl)-
  • Phenol, p-isopropyl-

Superlist Name

  • p-Isopropylphenol

Registry Numbers

CAS Registry Number

  • 99-89-8

FDA UNII

  • 9F59JOO816

Related Registry Number

  • 61260-32-0 (hydrochloride salt)

System Generated Number

  • 0000099898

Structure Descriptors

InChI

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

InChIKey

YQUQWHNMBPIWGK-UHFFFAOYSA-N

Smiles

c1(C(C)C)ccc(O)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 40mg/kg (40mg/kg) BEHAVIORAL: SLEEP Journal of Medicinal Chemistry. Vol. 23, Pg. 1350, 1980.
mouse LD50 oral 875mg/kg (875mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 46(1), Pg. 94, 1981.
mouse LDLo intraperitoneal 250mg/kg (250mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 5, Pg. 339, 1953.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 62.3 deg C   EXP
Boiling Point 230 deg C   EXP
pKa Dissociation Constant 10.24 (none) 25 EXP
log P (octanol-water) 2.9 (none)   EXP
Water Solubility 1100 mg/L 25 EST
Henry's Law Constant 1.09E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.25E-11 cm3/molecule-sec 25 EST

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