Hexanedioic Acid, Polymer With 1,3-Dihydro-1,3-Dioxo-5-Isobenzofurancarboxylic Acid, 1,3-Isobenzofurandione, Oxiranylmethyl Neodecanoate And 1,2-Propanediol
[CAS# 68877-68-9]

Identification

• Name: Hexanedioic Acid, Polymer With 1,3-Dihydro-1,3-Dioxo-5-Isobenzofurancarboxylic Acid, 1,3-Isobenzofurandione, Oxiranylmethyl Neodecanoate And 1,2-Propanediol
• Synonyms: Adipic Acid; 7,7-Dimethyl-2-(Oxiran-2-Ylmethyl)Octanoic Acid; 1,3-Dioxoisobenzofuran-5-Carboxylic Acid; Isobenzofuran-1,3-Dione; Propane-1,2-Diol; Adipic Acid
• Molecular Formula: C₃₉H₅₀O₁₇
• Molecular Weight: 790.81
• CAS Registry Number: 68877-68-9
• SMILES: C1=C(C=CC2=C1C(OC2=O)=O)C(=O)O.C3=CC=CC4=C3C(OC4=O)=O.C(C5OC5)C(C(=O)O)CCCCC(C)(C)C.C(C(=O)O)CCCC(=O)O.C(O)C(O)C
• InChI: 1S/C13H24O3.C9H4O5.C8H4O3.C6H10O4.C3H8O2/c1-13(2,3)7-5-4-6-10(12(14)15)8-11-9-16-11;10-7(11)4-1-2-5-6(3-4)9(13)14-8(5)12;9-7-5-3-1-2-4-6(5)8(10)11-7;7-5(8)3-1-2-4-6(9)10;1-3(5)2-4/h10-11H,4-9H2,1-3H3,(H,14,15);1-3H,(H,10,11);1-4H;1-4H2,(H,7,8)(H,9,10);3-5H,2H2,1H3
• InChIKey: BWNOPYFXTUHNHZ-UHFFFAOYSA-N

Properties

• Boiling point: 330.6°C at 760 mmHg (Cal.)
• Flash point: 116°C (Cal.)