1,3-Benzenedicarboxylic Acid, Polymer With Hexanedioic Acid, Hexanediol, 3-Hydroxy-2-(Hydroxymethyl)-2-Methylpropanoic Acid And 1,1-Methylenebisisocyanatocyclohexane
[CAS# 71394-31-5]

Identification

• Name: 1,3-Benzenedicarboxylic Acid, Polymer With Hexanedioic Acid, Hexanediol, 3-Hydroxy-2-(Hydroxymethyl)-2-Methylpropanoic Acid And 1,1-Methylenebisisocyanatocyclohexane
• Synonyms: Adipic Acid; 1-Hydroxyhexyl 3-Hydroxy-2-(Hydroxymethyl)-2-Methyl-Propanoate; 1-Isocyanato-1-[(1-Isocyanatocyclohexyl)Methyl]Cyclohexane; Isophthalic Acid; Adipic Acid; 3-Hydroxy-2-(Hydroxymethyl)-2-Methylpropanoic Acid 1-Hydroxyhexyl Ester
• Molecular Formula: C₄₀H₆₀N₂O₁₅
• Molecular Weight: 808.92
• CAS Registry Number: 71394-31-5
• SMILES: O=C=NC2(CC1(CCCCC1)N=C=O)CCCCC2.C(C(O)OC(C(CO)(C)CO)=O)CCCC.C3=C(C=CC=C3C(=O)O)C(=O)O.C(C(=O)O)CCCC(=O)O
• InChI: 1S/C15H22N2O2.C11H22O5.C8H6O4.C6H10O4/c18-12-16-14(7-3-1-4-8-14)11-15(17-13-19)9-5-2-6-10-15;1-3-4-5-6-9(14)16-10(15)11(2,7-12)8-13;9-7(10)5-2-1-3-6(4-5)8(11)12;7-5(8)3-1-2-4-6(9)10/h1-11H2;9,12-14H,3-8H2,1-2H3;1-4H,(H,9,10)(H,11,12);1-4H2,(H,7,8)(H,9,10)
• InChIKey: YCPSSKWAHKEGFQ-UHFFFAOYSA-N

Properties

• Boiling point: 354.3°C at 760 mmHg (Cal.)
• Flash point: 145.9°C (Cal.)