Decapreno-beta-Carotene
[CAS# 5940-03-4]

Identification

• Name: Decapreno-beta-Carotene
• Synonyms: 2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E)-3,7,11,16,20,24-Hexamethyl-26-(2,6,6-Trimethyl-1-Cyclohexenyl)Hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-Tridecaenyl]-1,3,3-Trimethyl-Cyclohexene; Decapreno-Beta-Carotene; Cyclohexene, 1,1'-(3,7,11,16,20,24-Hexamethyl-1,3,5,7,9,11,13,15,17,19,21,23,25-Hexacosatridecaene-1,26-Diyl)Bis(2,6,6-Trimethyl-, (All-E)-
• Molecular Formula: C₅₀H₆₈
• Molecular Weight: 669.09
• CAS Registry Number: 5940-03-4
• SMILES: CC1(C(=C(CCC1)C)\C=C\C(=C\C=C\C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(\C=C\C2=C(CCCC2(C)C)C)C)C)C)C)C)C)C
• InChI: 1S/C50H68/c1-39(23-15-25-41(3)27-17-29-43(5)33-35-47-45(7)31-19-37-49(47,9)10)21-13-14-22-40(2)24-16-26-42(4)28-18-30-44(6)34-36-48-46(8)32-20-38-50(48,11)12/h13-18,21-30,33-36H,19-20,31-32,37-38H2,1-12H3/b14-13+,23-15+,24-16+,27-17+,28-18+,35-33+,36-34+,39-21+,40-22+,41-25+,42-26+,43-29+,44-30+
• InChIKey: ODEVCWAIAJCZRJ-MGJPSJOXSA-N

Properties

• Density: 0.943g/cm³ (Cal.)
• Boiling point: 771.594°C at 760 mmHg (Cal.)
• Flash point: 418.839°C (Cal.)

References

• (1): Kildahl-Andersen Geir. Longer polyenyl cations in relation to soliton theory, Organic & Biomolecular Chemistry, 2007