phi,psi-Carotene
[CAS 2932-09-4]

Identification

• Name: phi,psi-Carotene
• Synonyms: 2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-Hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-Undecaenyl]-1,3,4-Trimethyl-Benzene; C15908; Chlorobactene
• Molecular Formula: C₄₀H₅₂
• Molecular Weight: 532.85
• CAS Registry Number: 2932-09-4
• SMILES: C1=C(C(=C(/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/CCC=C(C)C)C)C)C)C)C)C(=C1)C)C)C
• InChI: 1S/C40H52/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-30-40-38(9)29-28-37(8)39(40)10/h11-12,14-19,21-30H,13,20H2,1-10H3/b12-11+,21-14+,22-16+,25-15+,30-27+,32-18+,33-19+,34-23+,35-24+,36-26+
• InChIKey: VJASLAGEYVTOGS-IQAIWTHGSA-N

Properties

• Density: 0.924g/cm³ (Cal.)
• Boiling point: 671.647°C at 760 mmHg (Cal.)
• Flash point: 376.721°C (Cal.)

References

• (1): Marcel Fuciman, Pavel Chábera, Anita Župčanová, Petr Hříbek, Juan B. Arellano, František Vácha, Jakub Pšenčík and Tomáš Polívka. Excited state properties of aryl carotenoids, Phys. Chem. Chem. Phys., 2010, 12, 3112.