Thymolphthalein

CAS Registry Number®

125-20-2
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CAS Name

Thymolphthalein

Molecular Formula

C28H30O4

Molecular Mass

430.54

Cite this Page

Thymolphthalein.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=125-20-2 (retrieved 2024-04-20) (CAS RN: 125-20-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    253 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

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

InChIKey=LDKDGDIWEUUXSH-UHFFFAOYSA-N

SMILES

CC=1C(C2(C=3C(C(=O)O2)=CC=CC3)C4=CC(C(C)C)=C(O)C=C4C)=CC(C(C)C)=C(O)C1

Canonical SMILES

O=C1OC(C=2C=CC=CC12)(C3=CC(=C(O)C=C3C)C(C)C)C4=CC(=C(O)C=C4C)C(C)C

Other Names for this Substance

  • 1(3H)-Isobenzofuranone, 3,3-bis[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-
  • Phenolphthalein, 5′,5′′-diisopropyl-2′,2′′-dimethyl-
  • Thymolphthalein
  • 3,3-Bis[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-1(3H)-isobenzofuranone
  • 3,3-Bis(4-hydroxy-3-isopropyl-6-methyl)phthalide

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Deleted or Replaced CAS Registry Numbers

412959-00-3, 860114-15-4, 1005310-58-6, 1065125-48-5, 1111022-10-6, 1173514-83-4, 1185235-35-1, 1409972-57-1

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