Sodium (E)-2-Naphthalen-1-Ylhex-4-Enoate
[CAS# 3459-45-8]

Identification

• Name: Sodium (E)-2-Naphthalen-1-Ylhex-4-Enoate
• Synonyms: Sodium (E)-2-(1-Naphthyl)Hex-4-Enoate; 1-Naphthaleneacetic Acid, Alpha-(But-2'-Enyl)-, Sodium Salt; Acetic Acid, 2-(2-Butenyl)-2-(1-Naphthyl)-, Sodium Salt
• Molecular Formula: C₁₆H₁₅NaO₂
• Molecular Weight: 262.28
• CAS Registry Number: 3459-45-8
• SMILES: C1=C(C2=C(C=C1)C=CC=C2)C(C([O-])=O)C\C=C\C.[Na+]
• InChI: 1S/C16H16O2.Na/c1-2-3-9-15(16(17)18)14-11-6-8-12-7-4-5-10-13(12)14;/h2-8,10-11,15H,9H2,1H3,(H,17,18);/q;+1/p-1/b3-2+
• InChIKey: SJDCEXAILSGDEQ-SQQVDAMQSA-M

Properties

• Boiling point: 406.2°C at 760 mmHg (Cal.)
• Flash point: 303°C (Cal.)