4-(3,5-Dimethylphenyl)-2,2-dimethyl-4-oxobutanoic acid
[CAS# 898765-45-2]

Identification

• Name: 4-(3,5-Dimethylphenyl)-2,2-dimethyl-4-oxobutanoic acid
• Synonyms: 2,2-Dimethyl-4-(3,5-dimethylphenyl)-4-oxobutyric acid
• Molecular Formula: C₁₄H₁₈O₃
• Molecular Weight: 234.29
• CAS Registry Number: 898765-45-2
• SMILES: Cc1cc(cc(C)c1)C(=O)CC(C)(C)C(O)=O
• InChI: 1S/C14H18O3/c1-9-5-10(2)7-11(6-9)12(15)8-14(3,4)13(16)17/h5-7H,8H2,1-4H3,(H,16,17)
• InChIKey: JOJHIRMHBUHMEQ-UHFFFAOYSA-N

Properties

• Density: 1.094g/cm³ (Cal.)
• Boiling point: 403.915°C at 760 mmHg (Cal.)
• Flash point: 212.24°C (Cal.)
• Refractive index: 1.528 (Cal.)