CHEBI:86218 - cresol red

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ChEBI Name cresol red
ChEBI ID CHEBI:86218
Definition A member of the class of 2,1-benzoxathioles that is 2,1-benzoxathiole 1,1-dioxide in which both of the hydrogens at position 3 have been substituted by 4-hydroxy-5-methylphenyl groups.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C21H18O5S
Net Charge 0
Average Mass 382.43000
Monoisotopic Mass 382.087
InChI InChI=1S/C21H18O5S/c1-13-11-15(7-9-18(13)22)21(16-8-10-19(23)14(2)12-16)17-5-3-4-6-20(17)27(24,25)26-21/h3-12,22-23H,1-2H3
InChIKey OBRMNDMBJQTZHV-UHFFFAOYSA-N
SMILES Cc1cc(ccc1O)C1(OS(=O)(=O)c2ccccc12)c1ccc(O)c(C)c1
Roles Classification
Application(s): acid-base indicator
An acid or base which exhibits a colour change on neutralization by the basic or acidic titrant at or near the equivalence point of a titration.
dye

two-colour indicator
A colour indicator that possesses a different colour on each side of the transition interval.
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ChEBI Ontology
Outgoing cresol red (CHEBI:86218) has role acid-base indicator (CHEBI:50407)
cresol red (CHEBI:86218) has role dye (CHEBI:37958)
cresol red (CHEBI:86218) has role two-colour indicator (CHEBI:50412)
cresol red (CHEBI:86218) is a 2,1-benzoxathiole (CHEBI:38087)
cresol red (CHEBI:86218) is a arenesulfonate ester (CHEBI:38094)
cresol red (CHEBI:86218) is a polyphenol (CHEBI:26195)
cresol red (CHEBI:86218) is a sultone (CHEBI:38088)
IUPAC Name
3,3-bis(4-hydroxy-5-methylphenyl)-2,1λ6-benzoxathiole-1,1(3H)-dione
Synonyms Sources
3',3''-Dimethylphenolsulfonephthalein ChemIDplus
Cresolsulfophthalein ChemIDplus
NSC 7224 ChemIDplus
o-Cresol Red ChemIDplus
o-Cresolsulfonephthalein ChemIDplus
Manual Xref Database
Cresol_Red Wikipedia
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Registry Numbers Types Sources
1733-12-6 CAS Registry Number ChemIDplus
343399 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
26003703 PubMed citation Europe PMC
Last Modified
29 June 2015