2-Methyl-3-((3-Methyl-3-(4,8,12-Trimethyltridecyl)Oxiranyl)Methyl)-1,4-Naphthalenedione
[CAS# 52691-91-5]

Identification

• Name: 2-Methyl-3-((3-Methyl-3-(4,8,12-Trimethyltridecyl)Oxiranyl)Methyl)-1,4-Naphthalenedione
• Synonyms: 2-Methyl-3-[[3-Methyl-3-(4,8,12-Trimethyltridecyl)-2-Oxiranyl]Methyl]Naphthalene-1,4-Dione; 2-Methyl-3-[[3-Methyl-3-(4,8,12-Trimethyltridecyl)Oxiran-2-Yl]Methyl]-1,4-Naphthoquinone; 2-Methyl-3-((3-Methyl-3-(4,8,12-Trimethyltridecyl)Oxiranyl)Methyl)-1,4-Naphthalenedione
• Molecular Formula: C₃₁H₄₆O₃
• Molecular Weight: 466.70
• CAS Registry Number: 52691-91-5
• SMILES: C1=CC=CC2=C1C(=O)C(=C(C2=O)C)CC3OC3(CCCC(CCCC(CCCC(C)C)C)C)C
• InChI: 1S/C31H46O3/c1-21(2)12-9-13-22(3)14-10-15-23(4)16-11-19-31(6)28(34-31)20-27-24(5)29(32)25-17-7-8-18-26(25)30(27)33/h7-8,17-18,21-23,28H,9-16,19-20H2,1-6H3
• InChIKey: XIKNTKPLCMKTSC-UHFFFAOYSA-N

Properties

• Density: 1.004g/cm³ (Cal.)
• Boiling point: 557.68°C at 760 mmHg (Cal.)
• Flash point: 232.323°C (Cal.)