Isobutyl 8-[(2R,3S)-3-octyl-2-oxiranyl]octanoate
[CAS# 94158-21-1]

Identification

• Name: Isobutyl 8-[(2R,3S)-3-octyl-2-oxiranyl]octanoate
• Synonyms: isobutyl cis-3-octyloxiran-2-octanoate
• Molecular Formula: C₂₂H₄₂O₃
• Molecular Weight: 354.57
• CAS Registry Number: 94158-21-1
• EINECS: 303-092-3
• SMILES: CC(C)COC(=O)CCCCCCC[C@H]1O[C@H]1CCCCCCCC
• InChI: 1S/C22H42O3/c1-4-5-6-7-9-12-15-20-21(25-20)16-13-10-8-11-14-17-22(23)24-18-19(2)3/h19-21H,4-18H2,1-3H3/t20-,21+/m0/s1
• InChIKey: RLZMLCOLHSMIMU-LEWJYISDSA-N

Properties

• Density: 0.915g/cm³ (Cal.)
• Boiling point: 425.011°C at 760 mmHg (Cal.)
• Flash point: 161.94°C (Cal.)