2,6-Dimethyl-1,4-Benzoquinone
[CAS# 14071-93-3]

Identification

• Name: 2,6-Dimethyl-1,4-Benzoquinone
• Synonyms: 1,4-benzoquinone, 2,6-dimethyl-; 2, 5-Cyclohexadiene-1,4-dione, 2,6-dimethyl-; 2, 6-Dimethyl-1,4-quinone
• Molecular Formula: C₈H₈O₂
• Molecular Weight: 136.15
• CAS Registry Number: 14071-93-3
• SMILES: CC1=CC(=O)C=C(C1=O)C
• InChI: 1S/C8H8O2/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,1-2H3
• InChIKey: SENUUPBBLQWHMF-UHFFFAOYSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Melting point: 73°C (Expl.)
• Boiling point: 200.9±15.0°C at 760 mmHg (Cal.)
• Flash point: 71.1±17.4°C (Cal.)
• Refractive index: 1.511 (Cal.)

Safety Data

• Safety Code: S26;S36/37
• Risk Code: R20/22;R36/37/38
• Hazard Symbol: X
• Safety Description: WARNING: Irritates skin and eyes, harmful if swallowed

References

• (1): Chunjian Liu, Guanglin Bao and D. Jean Burnell. Synthetic studies toward the kempane diterpenes. Diels–Alder additions to bicyclic dienes, J. Chem. Soc., Perkin Trans. 1, 2001, 0, 2644.