4-(1,1-Dimethylethyl)-Benzoic Acid Barium Salt (2:1)
[CAS# 10196-68-6]

Identification

• Name: 4-(1,1-Dimethylethyl)-Benzoic Acid Barium Salt (2:1)
• Synonyms: Barium 4-(1,1-Dimethylethyl)Benzoate; Benzoic Acid, 4-(1,1-Dimethylethyl)-, Barium Salt
• Molecular Formula: C₂₂H₂₆BaO₄
• Molecular Weight: 491.79
• CAS Registry Number: 10196-68-6
• EINECS: 233-490-1
• SMILES: C1=C(C(C)(C)C)C=CC(=C1)C([O-])=O.C2=C(C(C)(C)C)C=CC(=C2)C([O-])=O.[Ba++]
• InChI: 1S/2C11H14O2.Ba/c2*1-11(2,3)9-6-4-8(5-7-9)10(12)13;/h2*4-7H,1-3H3,(H,12,13);/q;;+2/p-2
• InChIKey: TVGPWOZHNCQATG-UHFFFAOYSA-L

Properties

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