Sodium 2,4-Ditert-Butylphenolate
[CAS# 75376-45-3]

Identification

• Name: Sodium 2,4-Ditert-Butylphenolate
• Synonyms: Sodium 2,4-Di-Tert-Butylphenolate
• Molecular Formula: C₁₄H₂₁NaO
• Molecular Weight: 228.31
• CAS Registry Number: 75376-45-3
• EINECS: 278-193-8
• SMILES: C1=C(C(C)(C)C)C=CC(=C1C(C)(C)C)[O-].[Na+]
• InChI: 1S/C14H22O.Na/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6;/h7-9,15H,1-6H3;/q;+1/p-1
• InChIKey: ZDPVQLNNWLCTPU-UHFFFAOYSA-M

Properties

• Boiling point: 265.5°C at 760 mmHg (Cal.)
• Flash point: 115°C (Cal.)

References

• (1): Citek et al.. Self-assembly of the oxy-tyrosinase core and the fundamental components of phenolic hydroxylation, Nature Chemistry, 2012