5-O-Methylembelin
[CAS# 56005-10-8]

Identification

• Name: 5-O-Methylembelin
• Synonyms: 2-Hydroxy-5-Methoxy-3-Undecyl-1,4-Benzoquinone; 2-Hydroxy-5-Methoxy-3-Undecyl-P-Benzoquinone; 2-Hydroxy-5-Methoxy-3-Undecyl-Cyclohexa-2,5-Diene-1,4-Dione
• Molecular Formula: C₁₈H₂₈O₄
• Molecular Weight: 308.42
• CAS Registry Number: 56005-10-8
• SMILES: C(C1=C(O)C(=O)C=C(OC)C1=O)CCCCCCCCCC
• InChI: 1S/C18H28O4/c1-3-4-5-6-7-8-9-10-11-12-14-17(20)15(19)13-16(22-2)18(14)21/h13,20H,3-12H2,1-2H3
• InChIKey: KHBJLRRAMCJZLZ-UHFFFAOYSA-N

Properties

• Density: 1.064g/cm³ (Cal.)
• Boiling point: 439.54°C at 760 mmHg (Cal.)
• Flash point: 149.945°C (Cal.)