5(6)-Carboxy-4-Hexyl-2-Cyclohexene-1-Octanoic Acid Pentyl Ester
[CAS# 68330-69-8]

Identification

• Name: 5(6)-Carboxy-4-Hexyl-2-Cyclohexene-1-Octanoic Acid Pentyl Ester
• Synonyms: (1R,2R,5R)-2-Hexyl-5-(8-Oxo-8-Pentoxy-Octyl)Cyclohex-3-Ene-1-Carboxylic Acid; (1R,2R,5R)-2-Hexyl-5-(8-Oxo-8-Pentoxyoctyl)-1-Cyclohex-3-Enecarboxylic Acid; (1R,2R,5R)-5-(8-Amoxy-8-Keto-Octyl)-2-Hexyl-Cyclohex-3-Ene-1-Carboxylic Acid
• Molecular Formula: C₂₆H₄₆O₄
• Molecular Weight: 422.65
• CAS Registry Number: 68330-69-8
• SMILES: [C@H]1(C(=O)O)[C@@H](C=C[C@@H](C1)CCCCCCCC(=O)OCCCCC)CCCCCC
• InChI: 1S/C26H46O4/c1-3-5-7-12-16-23-19-18-22(21-24(23)26(28)29)15-11-9-8-10-13-17-25(27)30-20-14-6-4-2/h18-19,22-24H,3-17,20-21H2,1-2H3,(H,28,29)/t22-,23+,24+/m0/s1
• InChIKey: CBZKMOXXYARXFZ-RBZQAINGSA-N

Properties

• Density: 0.964g/cm³ (Cal.)
• Boiling point: 524.364°C at 760 mmHg (Cal.)
• Flash point: 161.704°C (Cal.)