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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
- All
- Classifications
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- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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
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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/h1-12,21-22HInChIKey
KJFMBFZCATUALV-UHFFFAOYSA-NSmiles
Oc1ccc(cc1)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.