2-Carboxy-2-Methylpropane-1,3-Diyl Cyclohexane-1,2-Dicarboxylate
[CAS# 68901-21-3]

Identification

• Name: 2-Carboxy-2-Methylpropane-1,3-Diyl Cyclohexane-1,2-Dicarboxylate
• Synonyms: 2-[2-[(2-Carboxycyclohexanecarbonyl)Oxymethyl]-3-Hydroxy-2-Methyl-3-Oxo-Propoxy]Carbonylcyclohexane-1-Carboxylic Acid; 2-[[2-[[(2-Carboxycyclohexyl)-Oxomethoxy]Methyl]-3-Hydroxy-2-Methyl-3-Oxopropoxy]-Oxomethyl]-1-Cyclohexanecarboxylic Acid; 2-[2-[(2-Carboxycyclohexanecarbonyl)Oxymethyl]-3-Hydroxy-3-Keto-2-Methyl-Propoxy]Carbonylcyclohexane-1-Carboxylic Acid
• Molecular Formula: C₂₁H₃₀O₁₀
• Molecular Weight: 442.46
• CAS Registry Number: 68901-21-3
• EINECS: 272-664-1
• SMILES: C(OC(C1C(C(=O)O)CCCC1)=O)C(C(=O)O)(COC(=O)C2CCCCC2C(=O)O)C
• InChI: 1S/C21H30O10/c1-21(20(28)29,10-30-18(26)14-8-4-2-6-12(14)16(22)23)11-31-19(27)15-9-5-3-7-13(15)17(24)25/h12-15H,2-11H2,1H3,(H,22,23)(H,24,25)(H,28,29)
• InChIKey: XUOHMOHDURPJMM-UHFFFAOYSA-N

Properties

• Density: 1.348g/cm³ (Cal.)
• Boiling point: 684.411°C at 760 mmHg (Cal.)
• Flash point: 235.241°C (Cal.)