(2R,3S)-3-Heptyl-2-Octyl-Oxane
[CAS# 66719-58-2]

Identification

• Name: (2R,3S)-3-Heptyl-2-Octyl-Oxane
• Synonyms: (2R,3S)-3-Heptyl-2-Octyl-Tetrahydropyran; (2R,3S)-3-Heptyl-2-Octyltetrahydropyran; (2R,3S)-3-Heptyl-2-Octyl-Oxane
• Molecular Formula: C₂₀H₄₀O
• Molecular Weight: 296.54
• CAS Registry Number: 66719-58-2
• SMILES: [C@@H]1(OCCC[C@@H]1CCCCCCC)CCCCCCCC
• InChI: 1S/C20H40O/c1-3-5-7-9-11-13-17-20-19(16-14-18-21-20)15-12-10-8-6-4-2/h19-20H,3-18H2,1-2H3/t19-,20+/m0/s1
• InChIKey: RZWIIPASKMUIAC-VQTJNVASSA-N

Properties

• Density: 0.837g/cm³ (Cal.)
• Boiling point: 359.482°C at 760 mmHg (Cal.)
• Flash point: 148.534°C (Cal.)

References

• (1): Deyan Luan, Fania Szlam, Kenichi A. Tanaka, Philip S. Barie and Jeffrey D. Varner. Ensembles of uncertain mathematical models can identify network response to therapeutic interventions, Mol. Biosyst., 2010, 6, 2272.