Ethyl 3-[(2E)-3,7-Dimethyl-2,6-Octadien-1-Yl]-4,6-Dihydroxy-2-Pentylbenzoate
[CAS# 18793-34-5]

Identification

• Name: Ethyl 3-[(2E)-3,7-Dimethyl-2,6-Octadien-1-Yl]-4,6-Dihydroxy-2-Pentylbenzoate
• Synonyms: Ethyl 3-[(2E)-3,7-dimethyl-2,6-octadienyl]-4,6-dihydroxy-2-pentylbenzoate #; β-Resorcylic acid, 5-(3,7-dimethyl-2,6-octadienyl)-6-pentyl-, ethyl ester, (E)-
• Molecular Formula: C₂₄H₃₆O₄
• Molecular Weight: 388.54
• CAS Registry Number: 18793-34-5
• SMILES: O=C(OCC)c1c(O)cc(O)c(c1CCCCC)C/C=C(\C)CC\C=C(/C)C
• InChI: 1S/C24H36O4/c1-6-8-9-13-20-19(15-14-18(5)12-10-11-17(3)4)21(25)16-22(26)23(20)24(27)28-7-2/h11,14,16,25-26H,6-10,12-13,15H2,1-5H3/b18-14+
• InChIKey: QXJHVLUKNYEHGE-NBVRZTHBSA-N

Properties

• Density: 1.037g/cm³ (Cal.)
• Boiling point: 540.544°C at 760 mmHg (Cal.)
• Flash point: 176.295°C (Cal.)
• Refractive index: 1.533 (Cal.)

References

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