Sodium 4-(2-Ethylhexoxycarbonyl)Phenolate
[CAS# 74997-72-1]

Identification

• Name: Sodium 4-(2-Ethylhexoxycarbonyl)Phenolate
• Synonyms: Sodium 4-(2-Ethylhexoxy-Oxomethyl)Phenolate; Sodium 2-Ethylhexyl 4-Oxidobenzoate
• Molecular Formula: C₁₅H₂₁NaO₃
• Molecular Weight: 272.32
• CAS Registry Number: 74997-72-1
• EINECS: 278-048-9
• SMILES: C1=C(C(OCC(CCCC)CC)=O)C=CC(=C1)[O-].[Na+]
• InChI: 1S/C15H22O3.Na/c1-3-5-6-12(4-2)11-18-15(17)13-7-9-14(16)10-8-13;/h7-10,12,16H,3-6,11H2,1-2H3;/q;+1/p-1
• InChIKey: ISCKUIBTVLMXRZ-UHFFFAOYSA-M

Properties

• Boiling point: 362.6°C at 760 mmHg (Cal.)
• Flash point: 144.6°C (Cal.)