3-Hydroxy-2-Methyl-3-Phytyl-2,3-Dihydronaphthoquinone
[CAS# 82162-05-8]

Identification

• Name: 3-Hydroxy-2-Methyl-3-Phytyl-2,3-Dihydronaphthoquinone
• Synonyms: 3-Hydroxy-3-Methyl-2-(3,7,11,15-Tetramethylhexadec-2-Enyl)-2H-Naphthalene-1,4-Dione; 2-Hydroxy-2-Methyl-3-[(E)-3,7,11,15-Tetramethylhexadec-2-Enyl]Tetralin-1,4-Dione; 2-Hydroxy-2-Methyl-3-(3,7,11,15-Tetramethylhexadec-2-Enyl)Tetralin-1,4-Dione
• Molecular Formula: C₃₁H₄₈O₃
• Molecular Weight: 468.72
• CAS Registry Number: 82162-05-8
• SMILES: C1=CC=CC2=C1C(=O)C(O)(C(C2=O)C\C=C(\CCCC(CCCC(CCCC(C)C)C)C)C)C
• InChI: 1S/C31H48O3/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-28-29(32)26-18-7-8-19-27(26)30(33)31(28,6)34/h7-8,18-20,22-24,28,34H,9-17,21H2,1-6H3/b25-20+
• InChIKey: IGFQNNFYQDCUDR-LKUDQCMESA-N

Properties

• Density: 0.989g/cm³ (Cal.)
• Boiling point: 579.027°C at 760 mmHg (Cal.)
• Flash point: 318.027°C (Cal.)