1,3-Benzenedicarboxylic acid polymer with 2,2-dimethyl-1,3-propanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, hexanedioic acid and 1,3-isobenzofurandione, benzoate
[CAS# 90326-93-5]

Identification

• Name: 1,3-Benzenedicarboxylic acid polymer with 2,2-dimethyl-1,3-propanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, hexanedioic acid and 1,3-isobenzofurandione, benzoate
• Synonyms: Adipic Acid; Benzoic Acid; 2,2-Dimethylpropane-1,3-Diol; 2-Ethyl-2-(Hydroxymethyl)Propane-1,3-Diol; Isobenzofuran-1,3-Dione; Isophthalic Acid
• Molecular Formula: C₄₀H₅₂O₁₈
• Molecular Weight: 820.84
• CAS Registry Number: 90326-93-5
• SMILES: C1=CC=CC2=C1C(OC2=O)=O.C3=C(C=CC=C3C(=O)O)C(=O)O.C(O)C(CO)(CO)CC.O=C(O)C4=CC=CC=C4.C(O)C(CO)(C)C.C(C(=O)O)CCCC(=O)O
• InChI: 1S/C8H6O4.C8H4O3.C7H6O2.C6H10O4.C6H14O3.C5H12O2/c9-7(10)5-2-1-3-6(4-5)8(11)12;9-7-5-3-1-2-4-6(5)8(10)11-7;8-7(9)6-4-2-1-3-5-6;7-5(8)3-1-2-4-6(9)10;1-2-6(3-7,4-8)5-9;1-5(2,3-6)4-7/h1-4H,(H,9,10)(H,11,12);1-4H;1-5H,(H,8,9);1-4H2,(H,7,8)(H,9,10);7-9H,2-5H2,1
• InChIKey: GAIWXJHMFHEPMV-UHFFFAOYSA-N

Properties

• Boiling point: 412.3°C at 760 mmHg (Cal.)
• Flash point: 217.3°C (Cal.)