2-Hydroxy-3-(9-Hydroxy-9-Pentyltetradecyl)-1,4-Naphthalenedione
[CAS# 572-97-4]

Identification

• Name: 2-Hydroxy-3-(9-Hydroxy-9-Pentyltetradecyl)-1,4-Naphthalenedione
• Synonyms: 4-Hydroxy-3-(9-Hydroxy-9-Pentyl-Tetradecyl)Naphthalene-1,2-Dione; 3-(9-Amyl-9-Hydroxy-Tetradecyl)-4-Hydroxy-1,2-Naphthoquinone; 1,4-Naphthoquinone, 2-Hydroxy-3-(9-Hydroxy-9-Pentyltetradecyl)-
• Molecular Formula: C₂₉H₄₄O₄
• Molecular Weight: 456.66
• CAS Registry Number: 572-97-4
• SMILES: C2=C1C(=C(CCCCCCCCC(O)(CCCCC)CCCCC)C(=O)C(=O)C1=CC=C2)O
• InChI: 1S/C29H44O4/c1-3-5-14-20-29(33,21-15-6-4-2)22-16-10-8-7-9-11-19-25-26(30)23-17-12-13-18-24(23)27(31)28(25)32/h12-13,17-18,30,33H,3-11,14-16,19-22H2,1-2H3
• InChIKey: ZGDKVXNTDIAIEZ-UHFFFAOYSA-N

Properties

• Density: 1.059g/cm³ (Cal.)
• Boiling point: 590.3°C at 760 mmHg (Cal.)
• Flash point: 324.836°C (Cal.)