1,3-Benzenedicarboxylic acid, polymer with 1,4-benzenedicarboxylic acid, 1,3-dihydro-1,3-dioxo-5-isobenzofurancarboxylic acid, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol and hexanedioic acid
[CAS# 103470-94-6]

Identification

• Name: 1,3-Benzenedicarboxylic acid, polymer with 1,4-benzenedicarboxylic acid, 1,3-dihydro-1,3-dioxo-5-isobenzofurancarboxylic acid, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol and hexanedioic acid
• Synonyms: Adipic Acid; 2,2-Dimethylpropane-1,3-Diol; 1,3-Dioxoisobenzofuran-5-Carboxylic Acid; Ethylene Glycol; Isophthalic Acid; Terephthalic Acid
• Molecular Formula: C₃₈H₄₄O₂₁
• Molecular Weight: 836.75
• CAS Registry Number: 103470-94-6
• SMILES: C1=C(C=CC2=C1C(OC2=O)=O)C(=O)O.C3=C(C=CC=C3C(=O)O)C(=O)O.C4=C(C=CC(=C4)C(=O)O)C(=O)O.C(O)C(CO)(C)C.C(C(=O)O)CCCC(=O)O.C(O)CO
• InChI: 1S/C9H4O5.2C8H6O4.C6H10O4.C5H12O2.C2H6O2/c10-7(11)4-1-2-5-6(3-4)9(13)14-8(5)12;9-7(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;1-5(2,3-6)4-7;3-1-2-4/h1-3H,(H,10,11);2*1-4H,(H,9,10)(H,11,12);1-4H2,(H,7,8)(H,9,10);6-7H,3-4H2,1-2H3;3-4H,1-2H2
• InChIKey: CPKIOVYKYCYUJQ-UHFFFAOYSA-N

Properties

• Boiling point: 470.6°C at 760 mmHg (Cal.)
• Flash point: 201.3°C (Cal.)