Pent-3-En-2-One
[CAS# 3102-33-8]

Identification

• Name: Pent-3-En-2-One
• Synonyms: (E)-Pent-3-En-2-One
• Molecular Formula: C₅H₈O
• Molecular Weight: 84.12
• CAS Registry Number: 3102-33-8
• EINECS: 210-888-3
• FEMA: 3417
• SMILES: CC(=O)\C=C\C
• InChI: 1S/C5H8O/c1-3-4-5(2)6/h3-4H,1-2H3/b4-3+
• InChIKey: LABTWGUMFABVFG-ONEGZZNKSA-N

Properties

• Density: 0.862 (Expl.)
• Boiling point: 121.999°C at 760 mmHg (Cal.)
• Flash point: 19.8±4.2°C (Cal.)
• Refractive index: 1.4355 (Expl.)

Safety Data

• Safety Code: S26;S36/37
• Risk Code: R10;R21;R36/37/38
• Hazard Symbol: X
• Transport Information: UN1992
• Safety Description: HARMFUL / IRRITANT

References

• (1): Luis R. Domingo, Ramón J. Zaragozá and Manuel Arnó. Understanding the mechanism of stereoselective synthesis of cyclopentenes via N-heterocyclic carbene catalyzed reactions of enals with enones, Org. Biomol. Chem., 2010, 8, 4884.