3,3-Bis(4-Hydroxy-5-Isopropyl-2-Methylphenyl)Isobenzofuran-1(3H)-One

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Catalog Number ACM125202-1
Product Name 3,3-Bis(4-Hydroxy-5-Isopropyl-2-Methylphenyl)Isobenzofuran-1(3H)-One
CAS Number 125-20-2
Structure 3,3-Bis(4-Hydroxy-5-Isopropyl-2-Methylphenyl)Isobenzofuran-1(3H)-One
IUPAC Name 3,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-benzofuran-1-one
Synonyms Thymophthalein
Molecular Weight 430.54
Molecular Formula C28H30O4
Canonical SMILES CC1=CC(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C)O)C(C)C)C(C)C)O
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 LDKDGDIWEUUXSH-UHFFFAOYSA-N
Boiling Point 571.6 °C at 760 mmHg
Melting Point 251-253 °C(lit.)
Flash Point 187.5±23.6 °C
Purity 96%
Density 1.2±0.1 g/cm3
Appearance White crystallized powder
Refractive Index 1.613

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