Sodium 4-Tert-Butylphenolate
[CAS# 5787-50-8]

Identification

• Name: Sodium 4-Tert-Butylphenolate
• Synonyms: 4-(1,1-Dimethylethyl)Phenol Sodium Salt; Caswell No. 130G
• Molecular Formula: C₁₀H₁₃NaO
• Molecular Weight: 172.20
• CAS Registry Number: 5787-50-8
• EINECS: 227-318-4
• SMILES: C1=C(C(C)(C)C)C=CC(=C1)[O-].[Na+]
• InChI: 1S/C10H14O.Na/c1-10(2,3)8-4-6-9(11)7-5-8;/h4-7,11H,1-3H3;/q;+1/p-1
• InChIKey: QDJPHAPWEUQBKS-UHFFFAOYSA-M

Properties

• Boiling point: 233.7°C at 760 mmHg (Cal.)
• Flash point: 110.9°C (Cal.)