Montanol
[CAS# 71117-50-5]

Identification

• Name: Montanol
• Synonyms: (E,6R)-9-[(2S,3R,6E)-3-Hydroxy-6-(2-Hydroxyethylidene)-2-Methyl-Oxepan-2-Yl]-2,3,6-Trimethyl-Non-3-En-5-One; (E,6R)-9-[(2S,3R,6E)-3-Hydroxy-6-(2-Hydroxyethylidene)-2-Methyl-2-Oxepanyl]-2,3,6-Trimethylnon-3-En-5-One; C09137
• Molecular Formula: C₂₁H₃₆O₄
• Molecular Weight: 352.51
• CAS Registry Number: 71117-50-5
• SMILES: [C@@]1(OCC(/CC[C@H]1O)=C/CO)(CCC[C@@H](C)C(=O)\C=C(C(C)C)/C)C
• InChI: 1S/C21H36O4/c1-15(2)17(4)13-19(23)16(3)7-6-11-21(5)20(24)9-8-18(10-12-22)14-25-21/h10,13,15-16,20,22,24H,6-9,11-12,14H2,1-5H3/b17-13+,18-10+/t16-,20-,21+/m1/s1
• InChIKey: CFWFJIRDZVFKJB-GRZKGYEASA-N

Properties

• Density: 1.039g/cm³ (Cal.)
• Boiling point: 501.943°C at 760 mmHg (Cal.)
• Flash point: 166.387°C (Cal.)