3,5-Di-tert-Butylchalcone-4'-Carboxylic Acid
[CAS# 95906-67-5]

Identification

• Name: 3,5-Di-tert-Butylchalcone-4'-Carboxylic Acid
• Synonyms: 4-[(E)-3-(3,5-Ditert-Butylphenyl)-3-Oxoprop-1-Enyl]Benzoic Acid; 4-[3-(3,5-Ditert-Butylphenyl)-3-Oxo-Prop-1-Enyl]Benzoic Acid; 4-[(E)-3-(3,5-Ditert-Butylphenyl)-3-Oxo-Prop-1-Enyl]Benzoic Acid
• Molecular Formula: C₂₄H₂₈O₃
• Molecular Weight: 364.48
• CAS Registry Number: 95906-67-5 (110368-33-7)
• SMILES: C1=CC(=CC=C1C(O)=O)\C=C\C(=O)C2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C
• InChI: 1S/C24H28O3/c1-23(2,3)19-13-18(14-20(15-19)24(4,5)6)21(25)12-9-16-7-10-17(11-8-16)22(26)27/h7-15H,1-6H3,(H,26,27)/b12-9+
• InChIKey: FOUVTBKPJRMLPE-FMIVXFBMSA-N

Properties

• Density: 1.086g/cm³ (Cal.)
• Boiling point: 509.48°C at 760 mmHg (Cal.)
• Flash point: 276.012°C (Cal.)
• solubility: Soluble to 50 mM in ethanol and to 100 mM in DMSO