4-[2-(4-Hydroxy-3,5-Ditert-Butyl-Phenyl)Ethenyl]-2,6-Ditert-Butyl-Phenol
[CAS# 2950-01-8]

Identification

• Name: 4-[2-(4-Hydroxy-3,5-Ditert-Butyl-Phenyl)Ethenyl]-2,6-Ditert-Butyl-Phenol
• Synonyms: 2,6-Ditert-Butyl-4-[(E)-2-(3,5-Ditert-Butyl-4-Hydroxyphenyl)Ethenyl]Phenol; 2,6-Ditert-Butyl-4-[2-(3,5-Ditert-Butyl-4-Hydroxy-Phenyl)Vinyl]Phenol; 2,6-Ditert-Butyl-4-[(E)-2-(3,5-Ditert-Butyl-4-Hydroxy-Phenyl)Vinyl]Phenol
• Molecular Formula: C₃₀H₄₄O₂
• Molecular Weight: 436.68
• CAS Registry Number: 2950-01-8
• SMILES: C2=C(\C=C\C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)C=C(C(=C2C(C)(C)C)O)C(C)(C)C
• InChI: 1S/C30H44O2/c1-27(2,3)21-15-19(16-22(25(21)31)28(4,5)6)13-14-20-17-23(29(7,8)9)26(32)24(18-20)30(10,11)12/h13-18,31-32H,1-12H3/b14-13+
• InChIKey: AWUDLXWGQXPWFF-BUHFOSPRSA-N

Properties

• Density: 1.001g/cm³ (Cal.)
• Boiling point: 488.485°C at 760 mmHg (Cal.)
• Flash point: 191.425°C (Cal.)

References

• (1): Arnoldi Anna, Carughi Marica, Farina Gandolfina, Merlini Lucio, Parrino Maria G.. Synthetic analogs of phytoalexins. Synthesis and antifungal activity of potential free-radical scavengers, Journal of Agricultural and Food Chemistry, 1989