3-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-Nonamethyl-2,6,10,14,18,22,26,30,34-Hexatriacontanonenyl]-5-Methoxy-2-Methyl-2,5-Cyclohexadiene-1,4-Dione
[CAS# 7200-28-4]

Identification

• Name: 3-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-Nonamethyl-2,6,10,14,18,22,26,30,34-Hexatriacontanonenyl]-5-Methoxy-2-Methyl-2,5-Cyclohexadiene-1,4-Dione
• Synonyms: 5-Methoxy-2-Methyl-3-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-Nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-Nonaenyl]-1,4-Benzoquinone; 5-Methoxy-2-Methyl-3-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-Nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-Nonaenyl]-P-Benzoquinone; 2,5-Cyclohexadiene-1,4-Dione, 5-Methoxy-2-Methyl-3-(3,7,11,15,19,23,27,31,35-Nonamethyl-2,6,10,14,18,22,26,30,34-Hexatriacontanonaenyl)-, (All-E)-
• Molecular Formula: C₅₃H₈₀O₃
• Molecular Weight: 765.21
• CAS Registry Number: 7200-28-4
• SMILES: C(C1=C(C(C=C(C1=O)OC)=O)C)/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
• InChI: 1S/C53H80O3/c1-40(2)21-13-22-41(3)23-14-24-42(4)25-15-26-43(5)27-16-28-44(6)29-17-30-45(7)31-18-32-46(8)33-19-34-47(9)35-20-36-48(10)37-38-50-49(11)51(54)39-52(56-12)53(50)55/h21,23,25,27,29,31,33,35,37,39H,13-20,22,24,26,28,30,32,34,36,38H2,1-12H3/b41-23+,42-25+,43-27+,44-29+,45-31+,46-33+,47-35+,48-37+
• InChIKey: XLPIHYMHOSPCOZ-IQSNHBBHSA-N

Properties

• Density: 0.964g/cm³ (Cal.)
• Boiling point: 796.557°C at 760 mmHg (Cal.)
• Flash point: 304.472°C (Cal.)