3,3'-Dihydroxy-beta,beta-carotene-4,4'-dione
[CAS# 71772-51-5]

Identification

• Name: 3,3'-Dihydroxy-beta,beta-carotene-4,4'-dione
• Synonyms: (3S,3'S)-3,3'-Dihydroxy-β,β-carotene-4,4'-dione; 3,3′-Dihydroxy-β,β-carotene-4,4′-dione
• Molecular Formula: C₄₀H₅₂O₄
• Molecular Weight: 596.84
• CAS Registry Number: 71772-51-5
• SMILES: CC1=C(C(CC(C1=O)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=O)C(CC2(C)C)O)C)\C)\C)/C)/C
• InChI: 1S/C40H52O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+
• InChIKey: MQZIGYBFDRPAKN-QISQUURKSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 774.0±60.0°C at 760 mmHg (Cal.)
• Flash point: 435.8±29.4°C (Cal.)

References

• (1): James E. Reeve, Harry L. Anderson and Koen Clays. Dyes for biological second harmonic generation imaging, Phys. Chem. Chem. Phys., 2010, 12, 13484.