5,11,17,23-Tetrakis(2-Methyl-2-Propanyl)-2,8,14,20-Tetrathiapentacyclo[19.3.1.1^3,7.1^9,13.1^15,19]Octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-Dodecaene-25,26,27,28-Tetrol
[CAS# 182496-55-5]

Identification

• Name: 5,11,17,23-Tetrakis(2-Methyl-2-Propanyl)-2,8,14,20-Tetrathiapentacyclo[19.3.1.1^3,7.1^9,13.1^15,19]Octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-Dodecaene-25,26,27,28-Tetrol
• Synonyms: 4-tert-Butylthiacalix[4]arene
• Molecular Formula: C₄₀H₄₈O₄S₄
• Molecular Weight: 721.07
• CAS Registry Number: 182496-55-5
• SMILES: CC(C)(C)c1cc2c(c(c1)sc3cc(cc(c3O)sc4cc(cc(c4O)sc5cc(cc(c5O)s2)C(C)(C)C)C(C)(C)C)C(C)(C)C)O
• InChI: 1S/C40H48O4S4/c1-37(2,3)21-13-25-33(41)26(14-21)46-28-16-23(39(7,8)9)18-30(35(28)43)48-32-20-24(40(10,11)12)19-31(36(32)44)47-29-17-22(38(4,5)6)15-27(45-25)34(29)42/h13-20,41-44H,1-12H3
• InChIKey: PDEJSTNRUYUEQL-UHFFFAOYSA-N

Properties

• Density: 1.221g/cm³ (Cal.)
• Boiling point: 735.421°C at 760 mmHg (Cal.)
• Flash point: 355.631°C (Cal.)
• Refractive index: 1.638 (Cal.)