O(1),O(3)-Bis(carbethoxymethyl)-O(2),O(4)-dimethyl-p-tert-butylcalix(4)arene
[CAS# 149775-71-3]

Identification

• Name: O(1),O(3)-Bis(carbethoxymethyl)-O(2),O(4)-dimethyl-p-tert-butylcalix(4)arene
• Synonyms: O(1),O(3)-Bis(carbethoxymethyl)-O(2),O(4)-dimethyl-p-tert-butylcalix[4]arene
• Molecular Formula: C₅₄H₇₂O₈
• Molecular Weight: 849.14
• CAS Registry Number: 149775-71-3
• SMILES: CCOC(=O)COC1=C2CC3=CC(=CC(=C3OC)CC4=C(C(=CC(=C4)C(C)(C)C)CC5=C(C(=CC(=C5)C(C)(C)C)CC1=CC(=C2)C(C)(C)C)OC)OCC(=O)OCC)C(C)(C)C
• InChI: 1S/C54H72O8/c1-17-59-45(55)31-61-49-37-19-33-23-41(51(3,4)5)25-35(47(33)57-15)21-39-29-44(54(12,13)14)30-40(50(39)62-32-46(56)60-18-2)22-36-26-42(52(6,7)8)24-34(48(36)58-16)20-38(49)28-43(27-37)53(9,10)11/h23-30H,17-22,31-32H2,1-16H3
• InChIKey: YKBOZEHACZIDBO-UHFFFAOYSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Melting point: 162-164°C (Expl.)
• Boiling point: 830.0±65.0°C at 760 mmHg (Cal.)
• Flash point: 317.8±34.3°C (Cal.)
• Refractive index: 1.533 (Cal.)

Safety Data

• Safety Description: CAUTION: May irritate eyes, skin, and respiratory tract