Hexanedioic Acid, Polymer With 2,2-Dimethyl-1,3-Propanediol, 1,6-Hexanediol, 3-Hydroxy-2-(Hydroxymethyl)-2-Methylpropanoic Acid And 1,1'-Methylenebis[4-Isocyanatocyclohexane]
[CAS 71394-21-3]

Identification

• Name: Hexanedioic Acid, Polymer With 2,2-Dimethyl-1,3-Propanediol, 1,6-Hexanediol, 3-Hydroxy-2-(Hydroxymethyl)-2-Methylpropanoic Acid And 1,1'-Methylenebis[4-Isocyanatocyclohexane]
• Synonyms: Adipic Acid; 2,2-Dimethylpropane-1,3-Diol; Hexane-1,6-Diol; 3-Hydroxy-2-(Hydroxymethyl)-2-Methyl-Propanoic Acid; 1-Isocyanato-4-[(4-Isocyanatocyclohexyl)Methyl]Cyclohexane; Adipic Acid
• Molecular Formula: C₃₇H₆₈N₂O₁₄
• Molecular Weight: 764.95
• CAS Registry Number: 71394-21-3
• SMILES: O=C=NC2CCC(CC1CCC(CC1)N=C=O)CC2.C(CCCCCO)O.C(C(C(=O)O)(C)CO)O.C(C(CO)(C)C)O.C(C(=O)O)CCCC(=O)O
• InChI: 1S/C15H22N2O2.C6H10O4.C6H14O2.C5H10O4.C5H12O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19;7-5(8)3-1-2-4-6(9)10;7-5-3-1-2-4-6-8;1-5(2-6,3-7)4(8)9;1-5(2,3-6)4-7/h12-15H,1-9H2;1-4H2,(H,7,8)(H,9,10);7-8H,1-6H2;6-7H,2-3H2,1H3,(H,8,9);6-7H,3-4H2,1-2H3
• InChIKey: BVSBXDQYHXTBEG-UHFFFAOYSA-N

Properties

• Boiling point: 363.4°C at 760 mmHg (Cal.)
• Flash point: 149.8°C (Cal.)