2-Methyl-3-(3,7,11,15-Tetramethylhexadec-2-Enyl)-1,4-Naphthoquinone
[CAS# 81818-54-4]

Identification

• Name: 2-Methyl-3-(3,7,11,15-Tetramethylhexadec-2-Enyl)-1,4-Naphthoquinone
• Synonyms: 2-Methyl-3-(3,7,11,15-Tetramethylhexadec-2-Enyl)Naphthalene-1,4-Dione; 2-Methyl-3-[(E)-3,7,11,15-Tetramethylhexadec-2-Enyl]-1,4-Naphthoquinone; 2-Methyl-3-(3,7,11,15-Tetramethylhexadec-2-Enyl)-1,4-Naphthoquinone
• Molecular Formula: C₃₁H₄₆O₂
• Molecular Weight: 450.70
• CAS Registry Number: 81818-54-4 (27696-10-2)
• EINECS: 279-833-9
• SMILES: C1=C2C(=CC=C1)C(C(=C(C2=O)C\C=C(\CCCC(CCCC(CCCC(C)C)C)C)C)C)=O
• InChI: 1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+
• InChIKey: MBWXNTAXLNYFJB-LKUDQCMESA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Melting point: -20°C (Expl.)
• Boiling point: 140°C (Expl.)
• Flash point: 110°C (Expl.)
• Refractive index: 1.5252 (Expl.)

Safety Data

• Safety Description: CAUTION: May irritate eyes, skin, and respiratory tract