(1aR,2R,7aS)-3,4,4a,5,9,9aalpha-Hexahydro-4abeta-Hydroxy-2alpha,5alpha,9,9-Tetramethyl-8H-Oxireno[1,7a]Indeno[3a,4-b]Furan-6(2H)-One
[CAS# 66389-08-0]

Identification

• Name: (1aR,2R,7aS)-3,4,4a,5,9,9aalpha-Hexahydro-4abeta-Hydroxy-2alpha,5alpha,9,9-Tetramethyl-8H-Oxireno[1,7a]Indeno[3a,4-b]Furan-6(2H)-One
• Synonyms: 8H-Oxireno[1,7A]Indeno[3A,4-B]Furan-6(2H)-One, Hexahydro-4A-Hydroxy-2,5,9,9-Tetramethyl-, [2R-(1Ar*,2.Alpha.,4A.Beta.,5.Alpha.,7As*,9A.Alpha.)]-; Alliacolide 1; Alliacolide
• Molecular Formula: C₁₅H₂₂O₄
• Molecular Weight: 266.34
• CAS Registry Number: 66389-08-0
• SMILES: CC4C3(C1(C2(C(C(C)(C)C1)O2)C(CC3)C)OC4=O)O
• InChI: 1S/C15H22O4/c1-8-5-6-13(17)9(2)10(16)18-14(13)7-12(3,4)11-15(8,14)19-11/h8-9,11,17H,5-7H2,1-4H3
• InChIKey: LLRILYDNXOIONB-UHFFFAOYSA-N

Properties

• Density: 1.261g/cm³ (Cal.)
• Boiling point: 434.109°C at 760 mmHg (Cal.)
• Flash point: 162.602°C (Cal.)