1,3-Dimethoxy-4-Tert-Butylcalix(4)Arene
[CAS# 122406-45-5]

Identification

• Classification: Chemical reagent >> Organic reagent >> Alkane
• Name: 1,3-Dimethoxy-4-Tert-Butylcalix(4)Arene
• Synonyms: St066871
• Molecular Formula: C₄₆H₆₀O₄
• Molecular Weight: 676.98
• CAS Registry Number: 122406-45-5
• SMILES: COC4=C5CC1=CC(=CC(=C1O)CC2=CC(=CC(=C2OC)CC3=CC(=CC(=C3O)CC4=CC(=C5)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C
• InChI: 1S/C46H60O4/c1-43(2,3)35-19-27-15-31-23-37(45(7,8)9)25-33(41(31)49-13)17-29-21-36(44(4,5)6)22-30(40(29)48)18-34-26-38(46(10,11)12)24-32(42(34)50-14)16-28(20-35)39(27)47/h19-26,47-48H,15-18H2,1-14H3
• InChIKey: SDNQRJYYUPMBIV-UHFFFAOYSA-N

Properties

• Density: 1.052g/cm³ (Cal.)
• Boiling point: 712.767°C at 760 mmHg (Cal.)
• Flash point: 384.867°C (Cal.)