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Substance Name: Thymolphthalein
RN: 125-20-2
UNII: YG5I28WSQP
InChIKey: LDKDGDIWEUUXSH-UHFFFAOYSA-N

Note

  • Used as a pH indicator and as a reagent for blood after decolorizing the alkaline solution by boiling with zinc dust.

Molecular Formula

  • C28-H30-O4

Molecular Weight

  • 430.541
 

Classification Codes

  • Coloring Agents
  • Indicators and Reagents
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Names and Synonyms

Name of Substance

  • Thymolphthalein

MeSH Heading

  • Thymolphthalein

Synonyms

  • EINECS 204-729-7
  • NSC 2186
  • Phenolphthalein, 5',5''-diisopropyl-2',2''-dimethyl-
  • Thymolphthalein
  • Thymophthalein
  • UNII-YG5I28WSQP

Systematic Names

  • 1(3H)-Isobenzofuranone, 3,3-bis(4-hydroxy-2-methyl-5-(1-methylethyl)phenyl)-
  • 3,3-Bis(4-hydroxy-5-isopropyl-o-tolyl)phthalide
  • Phenolphthalein, 5',5''-diisopropyl-2',2''-dimethyl- (8CI)

Registry Numbers

CAS Registry Number

  • 125-20-2

FDA UNII

  • YG5I28WSQP

Other Registry Numbers

  • 1005310-58-6
  • 1065125-48-5
  • 1111022-10-6
  • 1173514-83-4
  • 412959-00-3
  • 860114-15-4

System Generated Number

  • 0000125202

Structure Descriptors

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

InChIKey

LDKDGDIWEUUXSH-UHFFFAOYSA-N

Smiles

C1(c2cc(c(O)cc2C)C(C)C)(c2cc(c(O)cc2C)C(C)C)c2c(cccc2)C(O1)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 253 deg C   EXP
log P (octanol-water) 7.060 (none)   EST
Atmospheric OH Rate Constant 2.05E-10 cm3/molecule-sec 25 EST

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