3-Isopropyl-6-(2-Methyl-2-Propanyl)-1,2-Benzoquinone
[CAS# 168331-80-4]

Identification

• Name: 3-Isopropyl-6-(2-Methyl-2-Propanyl)-1,2-Benzoquinone
• Synonyms: 3-(tert-butyl)-6-isopropylcyclohexa-3,5-diene-1,2-dione
• Molecular Formula: C₁₃H₁₈O₂
• Molecular Weight: 206.28
• CAS Registry Number: 168331-80-4
• SMILES: CC(C)C1=CC=C(C(=O)C1=O)C(C)(C)C
• InChI: 1S/C13H18O2/c1-8(2)9-6-7-10(13(3,4)5)12(15)11(9)14/h6-8H,1-5H3
• InChIKey: HJLTVJJGWLAKRO-UHFFFAOYSA-N

Properties

• Density: 1.029g/cm³ (Cal.)
• Boiling point: 293.887°C at 760 mmHg (Cal.)
• Flash point: 116.298°C (Cal.)
• Refractive index: 1.503 (Cal.)