Hexanedioic acid, polymer with 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, 1,6-hexanediol, 1,3-isobenzofurandione and 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
[CAS# 103570-31-6]

Identification

• Name: Hexanedioic acid, polymer with 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, 1,6-hexanediol, 1,3-isobenzofurandione and 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
• Synonyms: Adipic Acid; 2,2-Dimethylpropane-1,3-Diol; Ethylene Glycol; 2-Ethyl-2-(Hydroxymethyl)Propane-1,3-Diol; Hexane-1,6-Diol; Isobenzofuran-1,3-Dione
• Molecular Formula: C₄₅H₇₈N₂O₁₈
• Molecular Weight: 935.11
• CAS Registry Number: 103570-31-6
• SMILES: N(CC1(CC(CC(C1)N=C=O)(C)C)C)=C=O.C(CCCCC(=O)O)(=O)O.C(C(CO)(CO)CC)O.C(C(CO)(C)C)O.O=C2OC(C3=C2C=CC=C3)=O.C(CCCCCO)O.C(CO)O
• InChI: 1S/C12H18N2O2.C8H4O3.C6H10O4.C6H14O3.C6H14O2.C5H12O2.C2H6O2/c1-11(2)4-10(14-9-16)5-12(3,6-11)7-13-8-15;9-7-5-3-1-2-4-6(5)8(10)11-7;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;3-1-2-4/h10H,4-7H2,1-3H3;1-4H;1-4H2,(H,7,8)(H,9,10);7-9H,2-5H2,1H3;7-8H,1-6H2;6-7H,3-4H2,1-2H3;3-4H,1-2H2
• InChIKey: HWRFXAYEHLROHU-UHFFFAOYSA-N

Properties

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