4,4'-[2,5-Bis(Dodecyloxy)-1,4-Phenylene]Bis(2-Methyl-3-Butyn-2-Ol)
[CAS# 277316-22-0]

Identification

• Name: 4,4'-[2,5-Bis(Dodecyloxy)-1,4-Phenylene]Bis(2-Methyl-3-Butyn-2-Ol)
• Synonyms: 3-BUTYN-2-OL,4,4'-[2,5-BIS(DODECYLOXY)-1,4-PHENYLENE]BIS[2-METHYL-; 4,4'-(2,5-bis(dodecyloxy)-1,4-phenylene)bis(2-methyl-3-butyn-2-ol)
• Molecular Formula: C₄₀H₆₆O₄
• Molecular Weight: 610.95
• CAS Registry Number: 277316-22-0
• SMILES: O(c1cc(C#CC(O)(C)C)c(OCCCCCCCCCCCC)cc1C#CC(O)(C)C)CCCCCCCCCCCC
• InChI: 1S/C40H66O4/c1-7-9-11-13-15-17-19-21-23-25-31-43-37-33-36(28-30-40(5,6)42)38(34-35(37)27-29-39(3,4)41)44-32-26-24-22-20-18-16-14-12-10-8-2/h33-34,41-42H,7-26,31-32H2,1-6H3
• InChIKey: UZOFDRBXUXKCMC-UHFFFAOYSA-N

Properties

• Density: 0.994g/cm³ (Cal.)
• Boiling point: 703.767°C at 760 mmHg (Cal.)
• Flash point: 379.424°C (Cal.)
• Refractive index: 1.52 (Cal.)

References

• (1): Xiao-wei Zhang and Zhong-wei Gu . 4,4'-[2,5-Bis(dodecyloxy)-p-phenylene]bis(2-methylbut-3-yn-2-ol) , Acta Cryst (2010). E66, o1521Â Â