(5R,6R)-rel-6-Hydroxy-2,2,7,7-Tetramethyl-5-(1H-1,2,4-Triazol-1-Yl)-3-Octanone
[CAS# 69141-50-0]

Identification

• Name: (5R,6R)-rel-6-Hydroxy-2,2,7,7-Tetramethyl-5-(1H-1,2,4-Triazol-1-Yl)-3-Octanone
• Synonyms: 3-Octanone, 6-Hydroxy-2,2,7,7-Tetramethyl-5-(1H-1,2,4-Triazol-1-Yl)-, (5R,6R)-Rel-
• Molecular Formula: C₁₄H₂₅N₃O₂
• Molecular Weight: 267.37
• CAS Registry Number: 69141-50-0
• SMILES: [C@@H]([N]1N=CN=C1)([C@@H](O)C(C)(C)C)CC(=O)C(C)(C)C
• InChI: 1S/C14H25N3O2/c1-13(2,3)11(18)7-10(12(19)14(4,5)6)17-9-15-8-16-17/h8-10,12,19H,7H2,1-6H3/t10-,12+/m0/s1
• InChIKey: QYOXAEWIVYMSGJ-CMPLNLGQSA-N

Properties

• Density: 1.07g/cm³ (Cal.)
• Boiling point: 425.475°C at 760 mmHg (Cal.)
• Flash point: 211.12°C (Cal.)