1,3-Benzenedicarboxylic acid, polymer with 1,4-benzenedicarboxylic acid, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol and hexanedioic acid
[CAS# 90144-49-3]

Identification

• Name: 1,3-Benzenedicarboxylic acid, polymer with 1,4-benzenedicarboxylic acid, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol and hexanedioic acid
• Synonyms: Adipic Acid; 2,2-Dimethylpropane-1,3-Diol; Ethylene Glycol; 2-Ethyl-2-(Hydroxymethyl)Propane-1,3-Diol; Isophthalic Acid; Terephthalic Acid
• Molecular Formula: C₃₅H₅₄O₁₉
• Molecular Weight: 778.80
• CAS Registry Number: 90144-49-3
• SMILES: C1=C(C=CC=C1C(=O)O)C(=O)O.C2=C(C=CC(=C2)C(=O)O)C(=O)O.C(O)C(CO)(CO)CC.C(O)C(CO)(C)C.C(C(=O)O)CCCC(=O)O.C(O)CO
• InChI: 1S/2C8H6O4.C6H10O4.C6H14O3.C5H12O2.C2H6O2/c9-7(10)5-1-2-6(4-3-5)8(11)12;9-7(10)5-2-1-3-6(4-5)8(11)12;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;3-1-2-4/h2*1-4H,(H,9,10)(H,11,12);1-4H2,(H,7,8)(H,9,10);7-9H,2-5H2,1H3;6-7H,3-4H2,1-2H3;3-4H,1-2H2
• InChIKey: MEFFZZHVMBVDIX-UHFFFAOYSA-N

Properties

• Boiling point: 392.4°C at 760 mmHg (Cal.)
• Flash point: 205.3°C (Cal.)