4,4,7A-Trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E)-1,5,10,14-Tetramethyl-16-(2,2,6-Trimethylcyclohexylidene)Hexadeca-1,3,5,7,9,11,13,15-Octaenyl]-2,5,6,7-Tetrahydrobenzofuran
[CAS# 25548-02-1]

Identification

• Name: 4,4,7A-Trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E)-1,5,10,14-Tetramethyl-16-(2,2,6-Trimethylcyclohexylidene)Hexadeca-1,3,5,7,9,11,13,15-Octaenyl]-2,5,6,7-Tetrahydrobenzofuran
• Synonyms: neochrome
• Molecular Formula: C₄₀H₅₆O
• Molecular Weight: 552.87
• CAS Registry Number: 25548-02-1
• SMILES: CC/3CCCC(C)(C)C\3=C=CC(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)C1\C=C2\C(C)(C)CCCC2(C)O1
• InChI: 1S/C40H56O/c1-30(19-13-20-32(3)24-25-35-33(4)23-15-26-38(35,6)7)17-11-12-18-31(2)21-14-22-34(5)36-29-37-39(8,9)27-16-28-40(37,10)41-36/h11-14,17-22,24,29,33,36H,15-16,23,26-28H2,1-10H3/b12-11+,19-13+,21-14+,30-17+,31-18+,32-20+,34-22+
• InChIKey: VZYSSTUDRDLCSC-NEFHIMGMSA-N

Properties

• Density: 0.968g/cm³ (Cal.)
• Boiling point: 655.559°C at 760 mmHg (Cal.)
• Flash point: 320.197°C (Cal.)
• Refractive index: 1.545 (Cal.)

References

• (1): Tsai-Hua Kao, Chia-Ju Chen and Bing-Huei Chen. Carotenoid composition in Rhinacanthus nasutus (L.) Kurz as determined by HPLC-MS and affected by freeze-drying and hot-air-drying, Analyst, 2011, 136, 3194.