Hexanedioic acid, polymer with 2,2-dimethyl-1,3-propanediol, 1,6-hexanediol, 1,1'-methylenebis(4-isocyanatobenzene) and 2,2'-(1,4-phenylenebis(oxy))bis(ethanol)
[CAS# 109180-02-1]

Identification

• Name: Hexanedioic acid, polymer with 2,2-dimethyl-1,3-propanediol, 1,6-hexanediol, 1,1'-methylenebis(4-isocyanatobenzene) and 2,2'-(1,4-phenylenebis(oxy))bis(ethanol)
• Synonyms: Adipic Acid; 2,2-Dimethylpropane-1,3-Diol; Hexane-1,6-Diol; 2-[4-(2-Hydroxyethoxy)Phenoxy]Ethanol; 1-Isocyanato-4-[(4-Isocyanatophenyl)Methyl]Benzene; Adipic Acid
• Molecular Formula: C₄₂H₆₀N₂O₁₄
• Molecular Weight: 816.94
• CAS Registry Number: 109180-02-1
• SMILES: O=C=NC2=CC=C(CC1=CC=C(C=C1)N=C=O)C=C2.C3=CC(=CC=C3OCCO)OCCO.C(CCCCCO)O.C(C(CO)(C)C)O.C(C(=O)O)CCCC(=O)O
• InChI: 1S/C15H10N2O2.C10H14O4.C6H10O4.C6H14O2.C5H12O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19;11-5-7-13-9-1-2-10(4-3-9)14-8-6-12;7-5(8)3-1-2-4-6(9)10;7-5-3-1-2-4-6-8;1-5(2,3-6)4-7/h1-8H,9H2;1-4,11-12H,5-8H2;1-4H2,(H,7,8)(H,9,10);7-8H,1-6H2;6-7H,3-4H2,1-2H3
• InChIKey: UHKFKMQLVRDEKP-UHFFFAOYSA-N

Properties

• Boiling point: 373.4°C at 760 mmHg (Cal.)
• Flash point: 154°C (Cal.)