3-Hydroxy-5-Methyl-2-(6-Methyl-2-Heptanyl)-1,4-Benzoquinone
[CAS# 17194-57-9]

Identification

• Name: 3-Hydroxy-5-Methyl-2-(6-Methyl-2-Heptanyl)-1,4-Benzoquinone
• Synonyms: (±)-2-(1,5-Dimethylhexyl)-3-hydroxy-5-methyl-2,5-cyclohexadiene-1,4-dione; 2-(1,5-Dimethylhexyl)-3-hydroxy-5-methylbenzo-1,4-quinone #; 3-HYDROXY-5-METHYL-2-[(2R)-6-METHYLHEPTAN-2-YL]CYCLOHEXA-2,5-DIENE-1,4-DIONE
• Molecular Formula: C₁₅H₂₂O₃
• Molecular Weight: 250.33
• CAS Registry Number: 17194-57-9
• SMILES: O=C1/C(=C\C(=O)\C(=C1\O)C(C)CCCC(C)C)C
• InChI: 1S/C15H22O3/c1-9(2)6-5-7-10(3)13-12(16)8-11(4)14(17)15(13)18/h8-10,18H,5-7H2,1-4H3
• InChIKey: LVIYJPUFTCELQM-UHFFFAOYSA-N

Properties

• Density: 1.079g/cm³ (Cal.)
• Boiling point: 352.673°C at 760 mmHg (Cal.)
• Flash point: 181.284°C (Cal.)
• Refractive index: 1.519 (Cal.)