4-(1,1-Dimethylethyl)-Benzoic Acid Sodium Salt (1:1)
[CAS# 17264-53-8]

Identification

• Name: 4-(1,1-Dimethylethyl)-Benzoic Acid Sodium Salt (1:1)
• Synonyms: 4-(Dimethylethyl)Benzoic Acid, Sodium Salt; Benzoic Acid, 4-(1,1-Dimethylethyl)-, Sodium Salt
• Molecular Formula: C₁₁H₁₃NaO₂
• Molecular Weight: 200.21
• CAS Registry Number: 17264-53-8
• EINECS: 241-296-3
• SMILES: C1=C(C=CC(=C1)C(=O)[O-])C(C)(C)C.[Na+]
• InChI: 1S/C11H14O2.Na/c1-11(2,3)9-6-4-8(5-7-9)10(12)13;/h4-7H,1-3H3,(H,12,13);/q;+1/p-1
• InChIKey: KTTMJIJHZNYOFB-UHFFFAOYSA-M

Properties

• Boiling point: 283.3°C at 760 mmHg (Cal.)
• Flash point: 134.9°C (Cal.)