Elsibucol
[CAS# 216167-95-2]

Identification

• Name: Elsibucol
• Synonyms: 4-[2,6-Ditert-Butyl-4-[1-(3,5-Ditert-Butyl-4-Hydroxy-Phenyl)Sulfanyl-1-Methyl-Ethyl]Sulfanyl-Phenoxy]Butanoic Acid; 4-[2,6-Ditert-Butyl-4-[[1-[(3,5-Ditert-Butyl-4-Hydroxyphenyl)Thio]-1-Methylethyl]Thio]Phenoxy]Butanoic Acid; 4-[2,6-Ditert-Butyl-4-[[1-[(3,5-Ditert-Butyl-4-Hydroxy-Phenyl)Thio]-1-Methyl-Ethyl]Thio]Phenoxy]Butyric Acid
• Molecular Formula: C₃₅H₅₄O₄S₂
• Molecular Weight: 602.93
• CAS Registry Number: 216167-95-2
• SMILES: C2=C(SC(SC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C)(C)C)C=C(C(=C2C(C)(C)C)OCCCC(=O)O)C(C)(C)C
• InChI: 1S/C35H54O4S2/c1-31(2,3)24-18-22(19-25(29(24)38)32(4,5)6)40-35(13,14)41-23-20-26(33(7,8)9)30(27(21-23)34(10,11)12)39-17-15-16-28(36)37/h18-21,38H,15-17H2,1-14H3,(H,36,37)
• InChIKey: YHFUPQNXMNMQAK-UHFFFAOYSA-N

Properties

• Density: 1.101g/cm³ (Cal.)
• Boiling point: 661.803°C at 760 mmHg (Cal.)
• Flash point: 354.046°C (Cal.)