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Details

Stereochemistry ACHIRAL
Molecular Formula C28H30O4
Molecular Weight 430.5354
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THYMOLPHTHALEIN

SMILES

CC(C)C1=CC(=C(C)C=C1O)C2(OC(=O)C3=C2C=CC=C3)C4=C(C)C=C(O)C(=C4)C(C)C

InChI

InChIKey=LDKDGDIWEUUXSH-UHFFFAOYSA-N
InChI=1S/C28H30O4/c1-15(2)20-13-23(17(5)11-25(20)29)28(22-10-8-7-9-19(22)27(31)32-28)24-14-21(16(3)4)26(30)12-18(24)6/h7-16,29-30H,1-6H3

HIDE SMILES / InChI

Description
Curator's Comment: The description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/29267665 | https://www.ncbi.nlm.nih.gov/pubmed/22788417

Thymolphthalein is a weak organic acid that behaves as an acid-base indicator in the pH range 9.3 (colorless) to 10.5 (blue). Thymolphthalein is also known to have been used as a laxative and for disappearing ink.

Originator

Sources: J. Chem. Soc. S. Africa (1917), 17, 129-32.

Approval Year

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown

Approved Use

Unknown
PubMed

PubMed

TitleDatePubMed
Expression and kinetic properties of a recombinant 3 alpha-hydroxysteroid/dihydrodiol dehydrogenase isoenzyme of human liver.
1995 Aug
Spectrophotometric determination of sulfur dioxide in air, using thymol blue.
2001 Jul-Aug
Properties of small molecules affecting insulin receptor function.
2001 Nov 13
A direct continuous pH-spectrophotometric assay for arginine kinase activity.
2002 Dec
A new continuous spectrophotometric assay method for DOPA oxidase activity of tyrosinase.
2003 Jul
Spectrophotometric study of the system Hg(II)-thymol blue-H2O and its evidence through electrochemical means.
2004 Feb
Surface consolidation of Pentelic marble: criteria for the selection of methods and materials. The Acropolis case.
2005
Simultaneous determination of copper, bismuth and lead by adsorptive stripping voltammetry in the presence of thymolphthalexone.
2006 Jul
Determination of transverse dispersion coefficients from reactive plume lengths.
2006 Mar-Apr
Water-soluble pH-responsive dendritic core-shell nanocarriers for polar dyes based on poly(ethylene imine).
2007 Aug 7
Determination of the complexation constants of Pb(II) and Cd(II) with thymol blue using spectrophotometry, SQUAD and the HSAB principle.
2007 Jan
Genome-wide association with select biomarker traits in the Framingham Heart Study.
2007 Sep 19
On-line solid phase selective separation and preconcentration of Cd(II) by solid-phase extraction using carbon active modified with methyl thymol blue.
2007 Sep 5
Experimental correlation between the pKa value of sulfonphthaleins with the nature of the substituents groups.
2008 Apr
A colorimetric assay for steady-state analyses of iodo- and bromoperoxidase activities.
2008 Aug 1
Sensitive and rapid titrimetric and spectrophotometric methods for the determination of stavudine in pharmaceuticals using bromate-bromide and three dyes.
2008 Jun
In vitro proliferation and osteoblastic phenotype expression of cells derived from human vertebral lamina and iliac crest.
2009 Jul 1
Rational quantitative structure-activity relationship (RQSAR) screen for PXR and CAR isoform-specific nuclear receptor ligands.
2010 Dec 5
Ionic liquid "buffers"-pH control in ionic liquid systems.
2010 Nov 7
Patents

Patents

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Name Type Language
THYMOLPHTHALEIN
MI  
Common Name English
3,3-BIS(4-HYDROXY-2-METHYL-5-(1-METHYLETHYL)PHENYL)-1(3H)-ISOBENZOFURANONE
Systematic Name English
2',2''-DIISOPROPYL-5',5''-DIMETHYLPHENOLPHTHALEIN
Common Name English
PHENOLPHTHALEIN, 5',5''-DIISOPROPYL-2',2''-DIMETHYL-
Common Name English
THYMOLPHTHALEIN [MI]
Common Name English
5',5''-DIISOPROPYL-2',2''-DIMETHYLPHENOLPHTHALEIN
Common Name English
NSC-2186
Code English
3,3-BIS(4-HYDROXY-3-ISOPROPYL-6-METHYL)PHTHALIDE
Common Name English
Code System Code Type Description
WIKIPEDIA
THYMOLPHTHALEIN
Created by admin on Sat Dec 16 02:52:06 UTC 2023 , Edited by admin on Sat Dec 16 02:52:06 UTC 2023
PRIMARY
NSC
2186
Created by admin on Sat Dec 16 02:52:06 UTC 2023 , Edited by admin on Sat Dec 16 02:52:06 UTC 2023
PRIMARY
FDA UNII
YG5I28WSQP
Created by admin on Sat Dec 16 02:52:06 UTC 2023 , Edited by admin on Sat Dec 16 02:52:06 UTC 2023
PRIMARY
MERCK INDEX
m10826
Created by admin on Sat Dec 16 02:52:06 UTC 2023 , Edited by admin on Sat Dec 16 02:52:06 UTC 2023
PRIMARY Merck Index
EPA CompTox
DTXSID2051633
Created by admin on Sat Dec 16 02:52:06 UTC 2023 , Edited by admin on Sat Dec 16 02:52:06 UTC 2023
PRIMARY
ECHA (EC/EINECS)
204-729-7
Created by admin on Sat Dec 16 02:52:06 UTC 2023 , Edited by admin on Sat Dec 16 02:52:06 UTC 2023
PRIMARY
CAS
125-20-2
Created by admin on Sat Dec 16 02:52:06 UTC 2023 , Edited by admin on Sat Dec 16 02:52:06 UTC 2023
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PUBCHEM
31316
Created by admin on Sat Dec 16 02:52:06 UTC 2023 , Edited by admin on Sat Dec 16 02:52:06 UTC 2023
PRIMARY