2-[(2E)-3,7-Dimethylocta-2,6-Dienyl]-5-Pentylbenzene-1,3-Diol
[CAS# 2808-33-5]

Identification

• Name: 2-[(2E)-3,7-Dimethylocta-2,6-Dienyl]-5-Pentylbenzene-1,3-Diol
• Synonyms: 2-[(2E)-3,7-Dimethylocta-2,6-Dienyl]-5-Pentyl-Benzene-1,3-Diol; 5-Amyl-2-[(2E)-3,7-Dimethylocta-2,6-Dienyl]Resorcinol; Resorcinol, 2-(3,7-Dimethyl-2,6-Octadienyl)-5-Pentyl-
• Molecular Formula: C₂₁H₃₂O₂
• Molecular Weight: 316.48
• CAS Registry Number: 2808-33-5
• SMILES: C1=C(C(=C(C=C1CCCCC)O)C\C=C(\CCC=C(C)C)C)O
• InChI: 1S/C21H32O2/c1-5-6-7-11-18-14-20(22)19(21(23)15-18)13-12-17(4)10-8-9-16(2)3/h9,12,14-15,22-23H,5-8,10-11,13H2,1-4H3/b17-12+
• InChIKey: QXACEHWTBCFNSA-SFQUDFHCSA-N

Properties

• Density: 0.988g/cm³ (Cal.)
• Boiling point: 470.355°C at 760 mmHg (Cal.)
• Flash point: 207.201°C (Cal.)
• solubility: Soluble to 100 mM in ethanol and to 100 mM in DMSO

References

• (1): Cardillo G., Cricchio R., Merlini L.. Synthesis of d,l-cannabichromene, franklinone and other natural chromenes☆, Tetrahedron, 1968