Sodium 5-Carboxy-4-Hexylcyclohex-2-Ene-1-Octanoate
[CAS# 63082-99-5]

Identification

• Name: Sodium 5-Carboxy-4-Hexylcyclohex-2-Ene-1-Octanoate
• Synonyms: Sodium 8-(5-Carboxy-4-Hexyl-1-Cyclohex-2-Enyl)Caprylate; Sodium 5-Carboxy-4-Hexylcyclohex-2-Ene-1-Octanoate
• Molecular Formula: C₂₁H₃₅NaO₄
• Molecular Weight: 374.49
• CAS Registry Number: 63082-99-5
• EINECS: 263-846-1
• SMILES: C(C1C(CC(C=C1)CCCCCCCC([O-])=O)C(=O)O)CCCCC.[Na+]
• InChI: 1S/C21H36O4.Na/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);/q;+1/p-1
• InChIKey: ZNBZNWFTONMVPR-UHFFFAOYSA-M

Properties

• Boiling point: 515.1°C at 760 mmHg (Cal.)
• Flash point: 279.4°C (Cal.)