2-Methyl-3-[(E,7R,11R)-3,7,11,15-Tetramethylhexadec-2-Enyl]Cyclohexa-2,5-Diene-1,4-Dione
[CAS# 76448-36-7]

Identification

• Name: 2-Methyl-3-[(E,7R,11R)-3,7,11,15-Tetramethylhexadec-2-Enyl]Cyclohexa-2,5-Diene-1,4-Dione
• Synonyms: 2-Methyl-3-[(E,7R,11R)-3,7,11,15-Tetramethylhexadec-2-Enyl]-1,4-Benzoquinone; 2-Methyl-3-[(E,7R,11R)-3,7,11,15-Tetramethylhexadec-2-Enyl]-P-Benzoquinone; 3-Phytyltoluquinone
• Molecular Formula: C₂₇H₄₄O₂
• Molecular Weight: 400.64
• CAS Registry Number: 76448-36-7
• SMILES: [C@H](CCC/C(=C/CC1=C(C(=O)C=CC1=O)C)C)(CCC[C@@H](CCCC(C)C)C)C
• InChI: 1S/C27H44O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)16-17-25-24(6)26(28)18-19-27(25)29/h16,18-22H,7-15,17H2,1-6H3/b23-16+/t21-,22-/m1/s1
• InChIKey: WUBPLEBNSABUOT-UOFXASEASA-N

Properties

• Density: 0.929g/cm³ (Cal.)
• Boiling point: 482.612°C at 760 mmHg (Cal.)
• Flash point: 178.992°C (Cal.)