(1α,3α,5α)-1,3,5-Cyclohexanetricarboxylic Acid , >96.0% , 16526-68-4

CAS NO.：16526-68-4

Empirical Formula: C9H12O6

Molecular Weight: 216.19

MDL number: MFCD00075294

PRODUCT Properties

• Melting point: 216-220 °C
• Boiling point: 372.4±42.0 °C(Predicted)
• Density: 1.509±0.06 g/cm3(Predicted)
• storage temp.: Sealed in dry,Room Temperature
• solubility: soluble in Methanol
• form: powder to crystal
• pka: 3.45±0.10(Predicted)
• color: White to Almost white
• BRN: 3120108
• InChI: InChI=1/C9H12O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h4-6H,1-3H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5+,6-
• InChIKey: FTHDNRBKSLBLDA-FPFOFBBKSA-N
• SMILES: [C@@H]1(C(=O)O)C[C@@H](C[C@H](C(=O)O)C1)C(=O)O |&1:0,5,7,r|
• CAS DataBase Reference: 16526-68-4

Description and Uses

Used as an organic intermediate.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319-H335
• Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338
• Hazard Codes: Xi
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• HS Code: 29172090