(5aS)-7alpha-[(R)-1,5-Dimethyl-4-Hexenyl]-5aalpha,6,7,8,9,9alpha-Hexahydro-5,9aalpha-Dimethyl-3-Benzooxepin-6alpha-Ol
[CAS# 63250-21-5]

Identification

• Name: (5aS)-7alpha-[(R)-1,5-Dimethyl-4-Hexenyl]-5aalpha,6,7,8,9,9alpha-Hexahydro-5,9aalpha-Dimethyl-3-Benzooxepin-6alpha-Ol
• Synonyms: (5As,6R,7S,9As)-7-[(1R)-1,5-Dimethylhex-4-Enyl]-5,9A-Dimethyl-6,7,8,9-Tetrahydro-5Ah-3-Benzoxepin-6-Ol; 3-Benzoxepin-6-Ol, 7-(1,5-Dimethyl-4-Hexenyl)-5A,6,7,8,9,9A-Hexahydro-5,9A-Dimethyl-, (5As-(5Aalpha,6Alpha,7Alpha(S*),9Aalpha))-; Dictyoxepin
• Molecular Formula: C₂₀H₃₂O₂
• Molecular Weight: 304.47
• CAS Registry Number: 63250-21-5
• SMILES: [C@@H]2([C@H]1[C@@](C=COC=C1C)(C)CC[C@H]2[C@@H](CCC=C(C)C)C)O
• InChI: 1S/C20H32O2/c1-14(2)7-6-8-15(3)17-9-10-20(5)11-12-22-13-16(4)18(20)19(17)21/h7,11-13,15,17-19,21H,6,8-10H2,1-5H3/t15-,17+,18+,19-,20+/m1/s1
• InChIKey: HFYSUZOICYWQHK-ZKIDJSGLSA-N

Properties

• Density: 0.977g/cm³ (Cal.)
• Boiling point: 420.261°C at 760 mmHg (Cal.)
• Flash point: 169.997°C (Cal.)