(1R,2S)-rel-2-Octyl-Cyclopropaneoctanoicacid Methyl Ester
[CAS# 3971-54-8]

Identification

• Classification: Analytical chemistry >> Food safety >> Fatty acid, fatty acid methyl ester
• Name: (1R,2S)-rel-2-Octyl-Cyclopropaneoctanoicacid Methyl Ester
• Synonyms: 8-[(1S,2R)-2-Octylcyclopropyl]Octanoic Acid Methyl Ester; 8-[(1S,2R)-2-Octylcyclopropyl]Caprylic Acid Methyl Ester; Cyclopropaneoctanoic Acid, 2-Octyl-, Methyl Ester, Cis-
• Molecular Formula: C₂₀H₃₈O₂
• Molecular Weight: 310.52
• CAS Registry Number: 3971-54-8
• SMILES: [C@H]1(C[C@@H]1CCCCCCCC(=O)OC)CCCCCCCC
• InChI: 1S/C20H38O2/c1-3-4-5-6-8-11-14-18-17-19(18)15-12-9-7-10-13-16-20(21)22-2/h18-19H,3-17H2,1-2H3/t18-,19+/m1/s1
• InChIKey: WKDUVICSOMXTKJ-MOPGFXCFSA-N

Properties

• Density: 0.896g/cm³ (Cal.)
• Boiling point: 362.66°C at 760 mmHg (Cal.)
• Flash point: 178.063°C (Cal.)