Ethyl 3-hexenoate

• CAS: 2396-83-0
• Catalog Number: ACM2396830
• Category: Other Products
• Molecular Weight: 142.2
• Molecular Formula: C₈H₁₄O₂
• Synonyms: 3-Hexenoic acid ethyl ester
• IUPAC Name: Ethyl (E)-hex-3-enoate
• Canonical SMILES: CCC=CCC(=O)OCC
• InChI: InChI=1S/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h5-6H,3-4,7H2,1-2H3/b6-5+
• InChI Key: VTSFIPHRNAESED-AATRIKPKSA-N
• Boiling Point: 63-64 °C
• Melting Point: −65.52 °C
• Flash Point: 139 °F
• Density: 0.896 g/mL at 25 °C(lit.)
• Exact Mass: 142.099379685
• Isomeric SMILES: CC/C=C/CC(=O)OCC
• Monoisotopic Mass: 142.099379685
• Physical State: Liquid
• Refractive Index: n20/D 1.426(lit.)
• Storage Conditions: Dry place,Room Temperature
• Topological Polar Surface Area: 26.3 Ų