1,3-Benzenedicarboxylic Acid, Polymer With 2,2-Dimethyl-1,3-Propanediol, 2-Ethyl-2-(Hydroxymethyl)-1,3-Propanediol, Hexanedioic Acid And 1,1'-Methylenebis[4-Isocyanatocyclohexane]
[CAS# 54682-75-6]

Identification

• Name: 1,3-Benzenedicarboxylic Acid, Polymer With 2,2-Dimethyl-1,3-Propanediol, 2-Ethyl-2-(Hydroxymethyl)-1,3-Propanediol, Hexanedioic Acid And 1,1'-Methylenebis[4-Isocyanatocyclohexane]
• Synonyms: Adipic Acid; 2,2-Dimethylpropane-1,3-Diol; 2-Ethyl-2-(Hydroxymethyl)Propane-1,3-Diol; 1-Isocyanato-4-[(4-Isocyanatocyclohexyl)Methyl]Cyclohexane; Isophthalic Acid; Adipic Acid
• Molecular Formula: C₄₀H₆₄N₂O₁₅
• Molecular Weight: 812.95
• CAS Registry Number: 54682-75-6
• SMILES: O=C=NC2CCC(CC1CCC(CC1)N=C=O)CC2.C(C(=O)O)CCCC(=O)O.C(C(CO)(CO)CC)O.C(C(CO)(C)C)O.O=C(C3=CC=CC(=C3)C(=O)O)O
• InChI: 1S/C15H22N2O2.C8H6O4.C6H10O4.C6H14O3.C5H12O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19;9-7(10)5-2-1-3-6(4-5)8(11)12;7-5(8)3-1-2-4-6(9)10;1-2-6(3-7,4-8)5-9;1-5(2,3-6)4-7/h12-15H,1-9H2;1-4H,(H,9,10)(H,11,12);1-4H2,(H,7,8)(H,9,10);7-9H,2-5H2,1H3;6-7H,3-4H2,1-2H3
• InChIKey: CQMWDTNRCGHCBY-UHFFFAOYSA-N

Properties

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