2,3-Dimethylbutane-1,2,3-Tricarboxylic Acid
[CAS# 2385-74-2]

Identification

• Name: 2,3-Dimethylbutane-1,2,3-Tricarboxylic Acid
• Synonyms: (-)-2,3-Dimethylbutane-1,2,3-Tricarboxylic Acid
• Molecular Formula: C₉H₁₄O₆
• Molecular Weight: 218.21
• CAS Registry Number: 2385-74-2
• EINECS: 219-192-4
• SMILES: C(C(C(=O)O)(C(C(=O)O)(C)C)C)C(=O)O
• InChI: 1S/C9H14O6/c1-8(2,6(12)13)9(3,7(14)15)4-5(10)11/h4H2,1-3H3,(H,10,11)(H,12,13)(H,14,15)
• InChIKey: MJCJFUJXVGIUOD-UHFFFAOYSA-N

Properties

• Density: 1.355g/cm³ (Cal.)
• Boiling point: 291.49°C at 760 mmHg (Cal.)
• Flash point: 144.323°C (Cal.)

References

• (1): Igor V. Tetko, Vsevolod Yu. Tanchuk, Tamara N. Kasheva, and Alessandro E. P. Villa. Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices, J. Chem. Inf. Comput. Sci., 2001, 41 (6), pp 1488–1493