2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-Decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-Decaenyl]-5,6-Dimethoxy-3-Methyl-Cyclohexa-2,5-Diene-1,4-Dione
[CAS# 55870-43-4]

Identification

• Name: 2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-Decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-Decaenyl]-5,6-Dimethoxy-3-Methyl-Cyclohexa-2,5-Diene-1,4-Dione
• Synonyms: 2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-Decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-Decaenyl]-5,6-Dimethoxy-3-Methylcyclohexa-2,5-Diene-1,4-Dione; 2-(3,7,11,15,19,23,27,31,35,39-Decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-Decaenyl)-5,6-Dimethoxy-3-Methyl-1,4-Benzoquinone; 2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-Decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-Decaenyl]-5,6-Dimethoxy-3-Methyl-1,4-Benzoquinone
• Molecular Formula: C₅₉H₉₀O₄
• Molecular Weight: 863.36
• CAS Registry Number: 55870-43-4
• SMILES: C(C1=C(C(=O)C(=C(C1=O)OC)OC)C)\C=C(\CC\C=C(\CC\C=C(\CC\C=C(\CC\C=C(\CC\C=C(\CC\C=C(\CC\C=C(\CC\C=C(\CCC=C(C)C)C)C)C)C)C)C)C)C)C
• InChI: 1S/C59H90O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-41-53(11)42-43-55-54(12)56(60)58(62-13)59(63-14)57(55)61/h24,26,28,30,32,34,36,38,40,42H,15-23,25,27,29,31,33,35,37,39,41,43H2,1-14H3/b45-26+,46-28+,47-30+,48-32+,49-34+,50-36+,51-38+,52-40+,53-42+
• InChIKey: ACTIUHUUMQJHFO-UPTCCGCDSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Melting point: 49°C (Expl.)
• Boiling point: 869.0±65.0°C at 760 mmHg (Cal.)
• Flash point: 324.6±34.3°C (Cal.)
• solubility: Soluble to 100 mM in ethanol

Safety Data

• Safety Description: Minimize exposure.

References

• (1): Dan Li, Da-Wei Li, John S. Fossey and Yi-Tao Long. In situ surface-enhanced Raman scattering and X-ray photoelectron spectroscopic investigation of coenzyme Q10 on silver electrode, Phys. Chem. Chem. Phys., 2011, 13, 2259.