(2S,4aR,9aR)-2-Ethoxy-2,4A,9,9A-Tetrahydro-6H-Pyrano[3,2-b]Oxepin-6-One
[CAS# 152843-33-9]

Identification

• Name: (2S,4aR,9aR)-2-Ethoxy-2,4A,9,9A-Tetrahydro-6H-Pyrano[3,2-b]Oxepin-6-One
• Synonyms: (2S,4aR,9aR)-2-ethoxy-9,9a-dihydro-2H-pyrano[3,2-b]oxepin-6(4aH)-one
• Molecular Formula: C₁₁H₁₄O₄
• Molecular Weight: 210.23
• CAS Registry Number: 152843-33-9
• SMILES: CCO[C@@H]1C=C[C@@H]2[C@H](O1)CC=CC(=O)O2
• InChI: 1S/C11H14O4/c1-2-13-11-7-6-9-8(15-11)4-3-5-10(12)14-9/h3,5-9,11H,2,4H2,1H3/t8-,9-,11+/m1/s1
• InChIKey: RHMZSGBJFIGIOW-KKZNHRDASA-N

Properties

• Density: 1.186g/cm³ (Cal.)
• Boiling point: 380.146°C at 760 mmHg (Cal.)
• Flash point: 171.523°C (Cal.)
• Refractive index: 1.521 (Cal.)