1-Acetoxy-1,3-Butadiene
[CAS# 1515-76-0]

Identification

• Classification: Chemical reagent >> Organic reagent >> Ester >> Other ester compounds
• Name: 1-Acetoxy-1,3-Butadiene
• Synonyms: Buta-1,3-Dienyl Acetate; Acetic Acid [(1E)-Buta-1,3-Dienyl] Ester; Acetic Acid Buta-1,3-Dienyl Ester
• Molecular Formula: C₆H₈O₂
• Molecular Weight: 112.13
• CAS Registry Number: 1515-76-0
• EINECS: 216-159-6
• SMILES: CC(O\C=C\C=C)=O
• InChI: 1S/C6H8O2/c1-3-4-5-8-6(2)7/h3-5H,1H2,2H3/b5-4+
• InChIKey: NMQQBXHZBNUXGJ-SNAWJCMRSA-N

Properties

• Density: 0.945 (Expl.)
• Boiling point: 51-52°C (Expl.)
• Flash point: 33°C (Expl.)
• Refractive index: 1.469 (Expl.)

Safety Data

• Safety Code: S20;S23;S26;S27;S36/37/39;S45
• Risk Code: R10;R22;R24;R36/37/38
• Hazard Symbol: T
• Transport Information: UN1992
• Safety Description: DANGER: FLAMMABLE, POISON, severe irritant

References

• (1): Adão A. Sabino, Marcos N. Eberlin, Luis Alberto B. Moraes and Kenneth K. Laali. Gas phase chemistry of the 2-tert-butyl-3-phenylphosphirenylium cation: novel onium ions by nucleophilic attack at phosphorus and de novo P-spiro bicyclic phosphonium ions via; [4 + 2] cycloaddition w ith dienes, Org. Biomol. Chem., 2003, 1, 395.