({[(2S)-2-Methyl-3-Buten-1-Yl]Oxy}Methyl)Benzene
[CAS# 16897-87-3]

Identification

• Name: ({[(2S)-2-Methyl-3-Buten-1-Yl]Oxy}Methyl)Benzene
• Synonyms: (-)-(S)-(((2-Methylbut-3-en-1-yl)oxy)methyl)benzene
• Molecular Formula: C₁₂H₁₆O
• Molecular Weight: 176.25
• CAS Registry Number: 16897-87-3
• SMILES: O(C[C@H](\C=C)C)Cc1ccccc1
• InChI: 1S/C12H16O/c1-3-11(2)9-13-10-12-7-5-4-6-8-12/h3-8,11H,1,9-10H2,2H3/t11-/m0/s1
• InChIKey: VEDHRQABUYZICC-NSHDSACASA-N

Properties

• Density: 0.927g/cm³ (Cal.)
• Boiling point: 231.356°C at 760 mmHg (Cal.)
• Flash point: 94.592°C (Cal.)
• Refractive index: 1.498 (Cal.)

References

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