2-Methyl-3-(3,7,11,15-Tetramethyl-2,6,10,14-Hexadecatetrenyl)-1,4-Naphthoquinone
[CAS# 6041-00-5]

Identification

• Name: 2-Methyl-3-(3,7,11,15-Tetramethyl-2,6,10,14-Hexadecatetrenyl)-1,4-Naphthoquinone
• Synonyms: 2-Methyl-3-[(2E,6E,10E)-3,7,11,15-Tetramethylhexadeca-2,6,10,14-Tetraenyl]Naphthalene-1,4-Dione; 2-Methyl-3-(3,7,11,15-Tetramethylhexadeca-2,6,10,14-Tetraenyl)-1,4-Naphthoquinone; 2-Methyl-3-[(2E,6E,10E)-3,7,11,15-Tetramethylhexadeca-2,6,10,14-Tetraenyl]-1,4-Naphthoquinone
• Molecular Formula: C₃₁H₄₀O₂
• Molecular Weight: 444.66
• CAS Registry Number: 6041-00-5
• SMILES: C1=CC=CC2=C1C(C(=C(C2=O)C)C\C=C(\CC\C=C(\CC\C=C(\CCC=C(C)C)C)C)C)=O
• InChI: 1S/C31H40O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,12,14,16,18-20H,9-11,13,15,17,21H2,1-6H3/b23-14+,24-16+,25-20+
• InChIKey: DKHGMERMDICWDU-GHDNBGIDSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 570.6±50.0°C at 760 mmHg (Cal.)
• Flash point: 208.3±27.1°C (Cal.)