2,3,4-Trimethylcyclopent-2-En-1-One
[CAS# 28790-86-5]

Identification

• Name: 2,3,4-Trimethylcyclopent-2-En-1-One
• Synonyms: 2,3,4-Trimethyl-1-Cyclopent-2-Enone; 2,3,4-Trimethyl-2-Cyclopentenone; 2,3,4-Trimethyl-2-Cyclopenten-1-One
• Molecular Formula: C₈H₁₂O
• Molecular Weight: 124.18
• CAS Registry Number: 28790-86-5
• SMILES: CC1=C(C(CC1=O)C)C
• InChI: 1S/C8H12O/c1-5-4-8(9)7(3)6(5)2/h5H,4H2,1-3H3
• InChIKey: QJQNTXCURBPBOK-UHFFFAOYSA-N

Properties

• Density: 0.923g/cm³ (Cal.)
• Boiling point: 183.745°C at 760 mmHg (Cal.)
• Flash point: 67.087°C (Cal.)

References

• (1): Xing-Hua Zhou, Joshua Davies, Su Huang, Jingdong Luo, Zhengwei Shi, Brent Polishak, Yen-Ju Cheng, Tae-Dong Kim, Lewis Johnson and Alex Jen. Facile structure and property tuning through alteration of ring structures in conformationally locked phenyltetraene nonlinear optical chromophores, J. Mater. Chem., 2011, 21, 4437.