(Z)-7-[(1R,4S,5S,6S)-5-(Hexoxymethyl)-7-Oxabicyclo[2.2.1]Heptan-6-Yl]-2,2-Dimethylhept-5-Enoic Acid
[CAS# 104162-13-2]

Identification

• Name: (Z)-7-[(1R,4S,5S,6S)-5-(Hexoxymethyl)-7-Oxabicyclo[2.2.1]Heptan-6-Yl]-2,2-Dimethylhept-5-Enoic Acid
• Synonyms: (Z)-7-[(1R,4S,5S,6S)-5-(Hexoxymethyl)-7-Oxabicyclo[2.2.1]Heptan-6-Yl]-2,2-Dimethyl-Hept-5-Enoic Acid; (1R-(1Alpha,2Alpha(Z),3Alpha,4Alpha))-7-(3-((Hexyloxy)Methyl)-7-Oxabicyclo(2.2.1)Hept-2-Yl)-2,2-Dimethyl-5-Heptenoic Acid; 1-(2,2-Dimethylhept-5-Eno-7-Yl)-2-((Hexyloxy)Methyl)-7-Oxabicyclo(2.2.1)Heptane
• Molecular Formula: C₂₂H₃₈O₄
• Molecular Weight: 366.54
• CAS Registry Number: 104162-13-2
• SMILES: [C@H]12O[C@H]([C@@H]([C@@H]1C\C=C/CCC(C(=O)O)(C)C)COCCCCCC)CC2
• InChI: 1S/C22H38O4/c1-4-5-6-10-15-25-16-18-17(19-12-13-20(18)26-19)11-8-7-9-14-22(2,3)21(23)24/h7-8,17-20H,4-6,9-16H2,1-3H3,(H,23,24)/b8-7-/t17-,18+,19+,20-/m0/s1
• InChIKey: ZKHRYLFRJMMUEU-KNKJJNPESA-N

Properties

• Density: 1.007g/cm³ (Cal.)
• Boiling point: 484.478°C at 760 mmHg (Cal.)
• Flash point: 157.494°C (Cal.)