1,3-Benzenedicarboxylic Acid, Polymer With 1,4-Benzenedicarboxylic Acid, 2,2-Dimethyl-1,3-Propanediol, 2-Ethyl-2-(Hydroxymethyl)-1,3-Propanediol And Hexanedioic Acid
[CAS# 52247-59-3]

Identification

• Name: 1,3-Benzenedicarboxylic Acid, Polymer With 1,4-Benzenedicarboxylic Acid, 2,2-Dimethyl-1,3-Propanediol, 2-Ethyl-2-(Hydroxymethyl)-1,3-Propanediol And Hexanedioic Acid
• Synonyms: Adipic Acid; 2,2-Dimethylpropane-1,3-Diol; 2-Ethyl-2-(Hydroxymethyl)Propane-1,3-Diol; Isophthalic Acid; Terephthalic Acid; Adipic Acid
• Molecular Formula: C₃₃H₄₈O₁₇
• Molecular Weight: 716.73
• CAS Registry Number: 52247-59-3
• 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
• InChI: 1S/2C8H6O4.C6H10O4.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;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/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
• InChIKey: KPLGSVVORQMDEJ-UHFFFAOYSA-N

Properties

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