1-Phenyl-1-Heptene
[CAS# 829-99-2]

Identification

• Name: 1-Phenyl-1-Heptene
• Synonyms: Benzene, 1-Heptenyl-, (E); Benzene, 1-Heptenyl-; 1-Heptene, 1-Phenyl-
• Molecular Formula: C₁₃H₁₈
• Molecular Weight: 174.29
• CAS Registry Number: 829-99-2
• SMILES: C1=CC(=CC=C1)\C=C\CCCCC
• InChI: 1S/C13H18/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h6-12H,2-5H2,1H3/b10-7+
• InChIKey: PNLSTDKQAPNMDU-JXMROGBWSA-N

Properties

• Density: 0.887g/cm³ (Cal.)
• Boiling point: 254.129°C at 760 mmHg (Cal.)
• Flash point: 102.639°C (Cal.)

References

• (1): Perez et al.. Catalytic asymmetric carbon-carbon bond formation via allylic alkylations with organolithium compounds, Nature Chemistry, 2011