(3S,4S,5R,6R,7R,8R)-8-Ethyl-4,6-dihydroxy-3,5,7-trimethyl-2-oxocanone
[CAS# 612090-95-6]

Identification

• Name: (3S,4S,5R,6R,7R,8R)-8-Ethyl-4,6-dihydroxy-3,5,7-trimethyl-2-oxocanone
• Synonyms: (3S,4S,5R,6R,7R,8R)-8-ethyl-4,6-dihydroxy-3,5,7-trimethyloxocan-2-one
• Molecular Formula: C₁₂H₂₂O₄
• Molecular Weight: 230.30
• CAS Registry Number: 612090-95-6
• SMILES: CC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@@H](C(=O)O1)C)O)C)O)C
• InChI: 1S/C12H22O4/c1-5-9-6(2)10(13)7(3)11(14)8(4)12(15)16-9/h6-11,13-14H,5H2,1-4H3/t6-,7+,8-,9+,10-,11-/m0/s1
• InChIKey: FFYFHJGWFDLUAM-GSVPJAPCSA-N

Properties

• Density: 1.042g/cm³ (Cal.)
• Boiling point: 387.803°C at 760 mmHg (Cal.)
• Flash point: 144.588°C (Cal.)
• Refractive index: 1.461 (Cal.)