1,3,5-Cyclooctatriene
[CAS# 1871-52-9]

Identification

• Name: 1,3,5-Cyclooctatriene
• Synonyms: Cycloocta-1,3,5-Triene; (1E,3Z,5E)-Cycloocta-1,3,5-Triene; Chebi:37891
• Molecular Formula: C₈H₁₀
• Molecular Weight: 106.17
• CAS Registry Number: 1871-52-9
• SMILES: C\1C\C=C/C=C\C=C1
• InChI: 1S/C8H10/c1-2-4-6-8-7-5-3-1/h1-6H,7-8H2/b2-1-,5-3-,6-4-
• InChIKey: ICPMUWPXCAVOOQ-XCADPSHZSA-N

Properties

• Density: 0.872g/cm³ (Cal.)
• Boiling point: 145.499°C at 760 mmHg (Cal.)
• Flash point: 27.831°C (Cal.)

References

• (1): Dhananjayan Vasu, Arindam Das and Rai-Shung Liu. Platinum-catalyzed cycloisomerization of 1,4-enynes via activation of a sp-hybridized C–H bond, Chem. Commun., 2010, 46, 4115.