5(6)-Carboxy-4-Hexylcyclohex-2-Ene-1-Octanoic Acid
[CAS# 53980-88-4]

Identification

• Name: 5(6)-Carboxy-4-Hexylcyclohex-2-Ene-1-Octanoic Acid
• Synonyms: 2-Hexyl-5-(8-Hydroxy-8-Oxo-Octyl)Cyclohex-3-Ene-1-Carboxylic Acid; 2-Hexyl-5-(8-Hydroxy-8-Oxooctyl)-1-Cyclohex-3-Enecarboxylic Acid; 2-Hexyl-5-(8-Hydroxy-8-Keto-Octyl)Cyclohex-3-Ene-1-Carboxylic Acid
• Molecular Formula: C₂₁H₃₆O₄
• Molecular Weight: 352.51
• CAS Registry Number: 53980-88-4
• EINECS: 258-897-1
• SMILES: C(C(O)=O)CCCCCCC1C=CC(C(C1)C(=O)O)CCCCCC
• InChI: 1S/C21H36O4/c1-2-3-4-9-12-18-15-14-17(16-19(18)21(24)25)11-8-6-5-7-10-13-20(22)23/h14-15,17-19H,2-13,16H2,1H3,(H,22,23)(H,24,25)
• InChIKey: RYKIXDBAIYMFDV-UHFFFAOYSA-N

Properties

• Density: 1.016g/cm³ (Cal.)
• Boiling point: 515.066°C at 760 mmHg (Cal.)
• Flash point: 279.387°C (Cal.)