4-Cyclohexene-1,2-Dicarboxylic Acid, Ester With 2,2-Dimethyl-1,3-Propanediol
[CAS# 68071-05-6]

Identification

• Name: 4-Cyclohexene-1,2-Dicarboxylic Acid, Ester With 2,2-Dimethyl-1,3-Propanediol
• Synonyms: 6-(3-Hydroxy-2,2-Dimethyl-Propoxy)Carbonylcyclohex-3-Ene-1-Carboxylic Acid; 6-[(3-Hydroxy-2,2-Dimethylpropoxy)-Oxomethyl]-1-Cyclohex-3-Enecarboxylic Acid; 4-Cyclohexene-1,2-Dicarboxylic Acid, Ester With 2,2-Dimethyl-1,3-Propanediol
• Molecular Formula: C₁₃H₂₀O₅
• Molecular Weight: 256.30
• CAS Registry Number: 68071-05-6
• SMILES: C(OC(C1CC=CCC1C(O)=O)=O)C(CO)(C)C
• InChI: 1S/C13H20O5/c1-13(2,7-14)8-18-12(17)10-6-4-3-5-9(10)11(15)16/h3-4,9-10,14H,5-8H2,1-2H3,(H,15,16)
• InChIKey: KCUGXVQRQBKXBO-UHFFFAOYSA-N

Properties

• Density: 1.202g/cm³ (Cal.)
• Boiling point: 378.852°C at 760 mmHg (Cal.)
• Flash point: 137.543°C (Cal.)