Hexanedioic Acid, Polymer With 1,3-Diisocyanato-2-Methylbenzene, 2,4-Diisocyanato-1-Methylbenzene, 2-Ethyl-2-(Hydroxymethyl)-1,3-Propanediol, 1,3-Isobenzofurandione, 2,2'-Oxybis[Ethanol] And 1,2-Propanediol
[CAS# 95566-39-5]

Identification

• Name: Hexanedioic Acid, Polymer With 1,3-Diisocyanato-2-Methylbenzene, 2,4-Diisocyanato-1-Methylbenzene, 2-Ethyl-2-(Hydroxymethyl)-1,3-Propanediol, 1,3-Isobenzofurandione, 2,2'-Oxybis[Ethanol] And 1,2-Propanediol
• Synonyms: Adipic Acid; 1,3-Diisocyanato-2-Methyl-Benzene; 2,4-Diisocyanato-1-Methyl-Benzene; 2-Ethyl-2-(Hydroxymethyl)Propane-1,3-Diol; 2-(2-Hydroxyethoxy)Ethanol; Isobenzofuran-1,3-Dione
• Molecular Formula: C₄₅H₅₈N₄O₁₉
• Molecular Weight: 958.97
• CAS Registry Number: 95566-39-5
• SMILES: N(C1=CC=C(C(=C1)N=C=O)C)=C=O.N(C2=C(C(=CC=C2)N=C=O)C)=C=O.C(CCCCC(=O)O)(=O)O.C(C(C)O)O.C(COCCO)O.C3=CC=CC4=C3C(OC4=O)=O.C(C(CO)(CO)CC)O
• InChI: 1S/2C9H6N2O2.C8H4O3.C6H10O4.C6H14O3.C4H10O3.C3H8O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13;1-7-8(10-5-12)3-2-4-9(7)11-6-13;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;5-1-3-7-4-2-6;1-3(5)2-4/h2*2-4H,1H3;1-4H;1-4H2,(H,7,8)(H,9,10);7-9H,2-5H
• InChIKey: IYMJQHNDDBZKSD-UHFFFAOYSA-N

Properties

• Boiling point: 251°C at 760 mmHg (Cal.)
• Flash point: 110.5°C (Cal.)