Hexanedioic acid, polymer with 1,4-butanediol, 1,6-diisocyanatohexane, 2,2-dimethyl-1,3-propanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, 1,6-hexanediol, 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane and methyloxirane
[CAS# 103570-32-7]

Identification

• Name: Hexanedioic acid, polymer with 1,4-butanediol, 1,6-diisocyanatohexane, 2,2-dimethyl-1,3-propanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, 1,6-hexanediol, 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane and methyloxirane
• Synonyms: Adipic Acid; Butane-1,4-Diol; 1,6-Diisocyanatohexane; 2,2-Dimethylpropane-1,3-Diol; 2-Ethyl-2-(Hydroxymethyl)Propane-1,3-Diol; Hexane-1,6-Diol
• Molecular Formula: C₅₀H₉₆N₄O₁₈
• Molecular Weight: 1041.32
• CAS Registry Number: 103570-32-7
• SMILES: N(CC1(CC(CC(C1)N=C=O)(C)C)C)=C=O.O2C(C2)C.C(CCCCCN=C=O)N=C=O.C(C(CO)(CO)CC)O.C(C(CO)(C)C)O.C(CCCCCO)O.C(CCCO)O.C(C(=O)O)CCCC(=O)O
• InChI: 1S/C12H18N2O2.C8H12N2O2.C6H10O4.C6H14O3.C6H14O2.C5H12O2.C4H10O2.C3H6O/c1-11(2)4-10(14-9-16)5-12(3,6-11)7-13-8-15;11-7-9-5-3-1-2-4-6-10-8-12;7-5(8)3-1-2-4-6(9)10;1-2-6(3-7,4-8)5-9;7-5-3-1-2-4-6-8;1-5(2,3-6)4-7;5-3-1-2-4-6;1-3-2-4-3/h10H,4-7H2,1-3H3;1-6H2;1-4H2,(H,7,8)(H,9,10);7-9H,2-5H2,1H3;7-8H,1-6H2;6-7H,3-4H2,1-2H3;5-6H,1-4H2;3H,2H2,1H3
• InChIKey: IKMMLIXQTQQPDP-UHFFFAOYSA-N

Properties

• Boiling point: 286.9°C at 760 mmHg (Cal.)
• Flash point: 116°C (Cal.)