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Substance Name: Phenolphthalein [USP:INN:BAN]
RN: 77-09-8
UNII: 6QK969R2IF
InChIKey: KJFMBFZCATUALV-UHFFFAOYSA-N

Note

  • An acid-base indicator which is colorless in acid solution, but turns pink to red as the solution becomes alkaline. It is used medicinally as a cathartic.

Molecular Formula

  • C20-H14-O4

Molecular Weight

  • 318.327
 

Classification Codes

Classification Codes

  • Agricultural Chemical
  • Human Data
  • Indicators and Reagents
  • Laxative
  • Mutation Data
  • Tumor Data

Superlist Classification Code

  • Reasonably Anticipated to be a Human Carcinogen

Names and Synonyms

Name of Substance

  • Phenolphthalein
  • Phenolphthalein [USP:INN:BAN]

MeSH Heading

  • Phenolphthalein

Synonyms

  • 3,3-Bis(4-hydroxyphenyl)-1(3H)-isobenzofuranone
  • 3,3-Bis(4-hydroxyphenyl)phthalide
  • 3,3-Bis(p-hydroxyphenyl)phthalide
  • 5-18-04-00188 (Beilstein Handbook Reference)
  • AI3-09081
  • alpha-(p-Hydroxyphenyl)-alpha-(4-oxo-2,5-cyclohexadien-1-ylidene)-o-toluic acid
  • alpha-Di(p-hydroxyphenyl)phthalide
  • BRN 0284423
  • CCRIS 6266
  • Colax
  • Correctol
  • Dihydroxyphthalophenone
  • EC 201-004-7
  • EINECS 201-004-7
  • Espotabs
  • Euchessina
  • Feen-A-Mint Gum
  • FemiLax
  • Fenolftalein
  • Fenolftalein [Czech]
  • Fenolftaleina
  • Fenolftaleina [INN-Spanish]
  • HSDB 4161
  • Koprol
  • Lax-Pills
  • Laxin
  • Laxogen
  • Lilo
  • Medilax
  • Modane
  • NCI-C55798
  • NSC 10464
  • Phenolax
  • Phenolphtaleine
  • Phenolphtaleine [INN-French]
  • Phenolphthalein
  • Phenolphthaleinum
  • Phenolphthaleinum [INN-Latin]
  • Phthalide 3,3,-bis(p-hydroxyphenyl)-
  • Phthalimetten
  • Phthalin
  • Prulet
  • Purga
  • Purgen
  • Purgophen
  • Spulmako-lax
  • Trilax
  • UNII-6QK969R2IF

Systematic Names

  • 1(3H)-Isobenzofuranone, 3,3-bis(4-hydroxyphenyl)-
  • Phenolphthalein

Superlist Name

  • Phenolphthalein

Mixture Names

  • Agoral
  • Alophen
  • Doxan
  • Doxidan
  • Feen-A-Mint Laxative Mints
  • Laxcaps
  • Modane Plus
  • Phillips Gelcaps

Registry Numbers

CAS Registry Number

  • 77-09-8

FDA UNII

  • 6QK969R2IF

Other Registry Numbers

  • 1541170-18-6
  • 390417-24-0
  • 467-29-8
  • 546094-13-7
  • 57214-20-7

System Generated Number

  • 0000077098

Structure Descriptors

InChI

InChI=1S/C20H14O4/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12,21-22H

InChIKey

KJFMBFZCATUALV-UHFFFAOYSA-N

Smiles

Oc1ccc(cc1)C2(OC(=O)c3ccccc23)c4ccc(O)cc4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
man TDLo oral 29mg/kg (29mg/kg) GASTROINTESTINAL: GASTRITIS

GASTROINTESTINAL: NAUSEA OR VOMITING

KIDNEY, URETER, AND BLADDER: OTHER CHANGES IN URINE COMPOSITION		 Postgraduate Medical Journal. Vol. 60, Pg. 491, 1984.
rat LD oral > 1gm/kg (1000mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 25, 1953.
rat LDLo intraperitoneal 500mg/kg (500mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 30, 1953.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 262.5 deg C   EXP
pKa Dissociation Constant 9.7 (none) 25 EXP
log P (octanol-water) 2.41 (none)   EXP
Water Solubility 400 mg/L   EXP
Vapor Pressure 6.74E-13 mm Hg 25 EST
Henry's Law Constant 8.98E-16 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.42E-11 cm3/molecule-sec 25 EST

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