CAS Registry Number®
125-20-2
CAS Name
Thymolphthalein
Molecular Formula
C28H30O4
Molecular Mass
430.54
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
- 2′,2′′-Diisopropyl-5′,5′′-dimethylphenolphthalein
- NSC 2186
- 2-[(4-Hydroxy-5-isopropyl-2-methylphenyl)(5-isopropyl-2-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzoic acid
- 3,3-Bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-benzofuran-1-one
- 3,3-Bis-(4-hydroxy-5-isopropyl-2-methyl-phenyl)-3H-isobenzofuran-1-one
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
