[(E)-3-Methylpent-3-Enyl] Benzoate
[CAS# 72845-36-4]

Identification

• Name: [(E)-3-Methylpent-3-Enyl] Benzoate
• Synonyms: Benzoic Acid [(E)-3-Methylpent-3-Enyl] Ester; 3-Methyl-3-Penten-1-Yl Benzoate; 3-Methylpent-3-En-1-Yl Benzoate
• Molecular Formula: C₁₃H₁₆O₂
• Molecular Weight: 204.27
• CAS Registry Number: 72845-36-4
• EINECS: 276-928-7
• SMILES: C1=CC=C(C=C1)C(=O)OCC\C(=C\C)C
• InChI: 1S/C13H16O2/c1-3-11(2)9-10-15-13(14)12-7-5-4-6-8-12/h3-8H,9-10H2,1-2H3/b11-3+
• InChIKey: HXFDZDVKIPFWFE-QDEBKDIKSA-N

Properties

• Density: 1.005g/cm³ (Cal.)
• Boiling point: 289.816°C at 760 mmHg (Cal.)
• Flash point: 129.934°C (Cal.)