2,2'-{[26,28-Dimethoxy-5,11,17,23-Tetrakis(2-Methyl-2-Propanyl)Pentacyclo[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-25,27-Diyl]Bis(Oxy)}Diacetic Acid
[CAS# 136157-98-7]

Identification

• Name: 2,2'-{[26,28-Dimethoxy-5,11,17,23-Tetrakis(2-Methyl-2-Propanyl)Pentacyclo[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-25,27-Diyl]Bis(Oxy)}Diacetic Acid
• Molecular Formula: C₅₀H₆₄O₈
• Molecular Weight: 793.04
• CAS Registry Number: 136157-98-7
• SMILES: CC(C)(C)C1=CC2=C(C(=C1)CC3=CC(=CC(=C3OCC(=O)O)CC4=CC(=CC(=C4OC)CC5=C(C(=CC(=C5)C(C)(C)C)C2)OCC(=O)O)C(C)(C)C)C(C)(C)C)OC
• InChI: 1S/C50H64O8/c1-47(2,3)37-19-29-15-33-23-39(49(7,8)9)25-35(45(33)57-27-41(51)52)17-31-21-38(48(4,5)6)22-32(44(31)56-14)18-36-26-40(50(10,11)12)24-34(46(36)58-28-42(53)54)16-30(20-37)43(29)55-13/h19-26H,15-18,27-28H2,1-14H3,(H,51,52)(H,53,54)
• InChIKey: GRSQCGICFHAMOA-UHFFFAOYSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Melting point: 250-252°C (Expl.)
• Boiling point: 844.9±65.0°C at 760 mmHg (Cal.)
• Flash point: 238.2±27.8°C (Cal.)
• Refractive index: 1.553 (Cal.)

Safety Data

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