2,3-Dimethyl-5-[(E,7R,11R)-3,7,11,15-Tetramethylhexadec-2-Enyl]Cyclohexa-2,5-Diene-1,4-Dione
[CAS# 1177-24-8]

Identification

• Name: 2,3-Dimethyl-5-[(E,7R,11R)-3,7,11,15-Tetramethylhexadec-2-Enyl]Cyclohexa-2,5-Diene-1,4-Dione
• Synonyms: 2,3-Dimethyl-5-[(E,7R,11R)-3,7,11,15-Tetramethylhexadec-2-Enyl]-1,4-Benzoquinone; 2,3-Dimethyl-5-[(E,7R,11R)-3,7,11,15-Tetramethylhexadec-2-Enyl]-P-Benzoquinone; Phytylplastoquinone
• Molecular Formula: C₂₈H₄₆O₂
• Molecular Weight: 414.67
• CAS Registry Number: 1177-24-8
• SMILES: [C@H](CCC/C(=C/CC1=CC(=O)C(=C(C1=O)C)C)C)(CCC[C@@H](CCCC(C)C)C)C
• InChI: 1S/C28H46O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-16-23(5)17-18-26-19-27(29)24(6)25(7)28(26)30/h17,19-22H,8-16,18H2,1-7H3/b23-17+/t21-,22-/m1/s1
• InChIKey: ZPVFWTSVFVOTQH-WGEODTKDSA-N

Properties

• Density: 0.923g/cm³ (Cal.)
• Boiling point: 493.19°C at 760 mmHg (Cal.)
• Flash point: 182.607°C (Cal.)