1,3-Benzenedicarboxylic Acid, Polymer With 1,4-Benzenedicarboxylic Acid, 2,2-Dimethyl-1,3-Propanediol And 2-Ethyl-2-(Hydroxymethyl)-1,3-Propanediol
[CAS# 53808-41-6]

Identification

• Name: 1,3-Benzenedicarboxylic Acid, Polymer With 1,4-Benzenedicarboxylic Acid, 2,2-Dimethyl-1,3-Propanediol And 2-Ethyl-2-(Hydroxymethyl)-1,3-Propanediol
• Synonyms: 2,2-Dimethylpropane-1,3-Diol; 2-Ethyl-2-(Hydroxymethyl)Propane-1,3-Diol; Isophthalic Acid; Terephthalic Acid; 2,2-Dimethylpropane-1,3-Diol; 2-Ethyl-2-Methylol-Propane-1,3-Diol
• Molecular Formula: C₂₇H₃₈O₁₃
• Molecular Weight: 570.59
• CAS Registry Number: 53808-41-6
• 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
• InChI: 1S/2C8H6O4.C6H14O3.C5H12O2/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;1-2-6(3-7,4-8)5-9;1-5(2,3-6)4-7/h2*1-4H,(H,9,10)(H,11,12);7-9H,2-5H2,1H3;6-7H,3-4H2,1-2H3
• InChIKey: DNMUTMYOCQCJSO-UHFFFAOYSA-N

Properties

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