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Substance Name: 2-Isopropylphenol
RN: 88-69-7
UNII: B2899Z0Q2U
InChIKey: CRBJBYGJVIBWIY-UHFFFAOYSA-N

Molecular Formula

  • C9-H12-O

Molecular Weight

  • 136.193
 
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Names and Synonyms

Name of Substance

  • 2-Isopropylphenol

Synonyms

  • 1-Hydroxy-2-isopropylbenzene
  • 1-Hydroxy-3-isopropylbenzene
  • 2-(1-Methylethyl)phenol
  • 2-Isopropylphenol
  • 4-06-00-03210 (Beilstein Handbook Reference)
  • AI3-18550
  • BRN 1363322
  • CCRIS 5729
  • Cumenol, o-
  • EINECS 201-852-8
  • FEMA No. 3461
  • ISOPROPYLPHENOL, ORTHO
  • NSC 5103
  • o-Hydroxycumene
  • o-Isopropylphenol
  • Phenol, 2-(1-methylethyl)-
  • Phenol, o-isopropyl-
  • Prodox 131
  • UNII-B2899Z0Q2U

Systematic Names

  • 2-Isopropylphenol
  • Phenol, 2-(1-methylethyl)-
  • Phenol, o-isopropyl-

Superlist Names

  • Isopropylphenol, o-
  • o-Isopropylphenol

Registry Numbers

CAS Registry Number

  • 88-69-7

FDA UNII

  • B2899Z0Q2U

System Generated Number

  • 0000088697

Structure Descriptors

InChI

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

InChIKey

CRBJBYGJVIBWIY-UHFFFAOYSA-N

Smiles

c1(c(cccc1)O)C(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg) BEHAVIORAL: SLEEP Journal of Medicinal Chemistry. Vol. 23, Pg. 1350, 1980.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 15.5 deg C   EXP
Boiling Point 213.5 deg C   EXP
pKa Dissociation Constant 10.47 (none) 20 EXP
log P (octanol-water) 2.88 (none)   EXP
Water Solubility 1150 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.