1,3-Benzenedicarboxylic Acid, Polymer With 2,2-Dimethyl-1,3-Propanediol, 2,5-Furandione, Hexanedioic Acid, 1,3-Isobenzofurandione And 1,2-Propanediol
[CAS# 67859-36-3]

Identification

• Name: 1,3-Benzenedicarboxylic Acid, Polymer With 2,2-Dimethyl-1,3-Propanediol, 2,5-Furandione, Hexanedioic Acid, 1,3-Isobenzofurandione And 1,2-Propanediol
• Synonyms: Adipic Acid; 2,2-Dimethylpropane-1,3-Diol; Furan-2,5-Dione; Isobenzofuran-1,3-Dione; Isophthalic Acid; Propane-1,2-Diol
• Molecular Formula: C₃₄H₄₂O₁₈
• Molecular Weight: 738.70
• CAS Registry Number: 67859-36-3
• SMILES: C1=CC=CC2=C1C(OC2=O)=O.C3=C(C=CC=C3C(=O)O)C(=O)O.O=C4OC(=O)C=C4.C(O)C(CO)(C)C.C(C(=O)O)CCCC(=O)O.C(O)C(O)C
• InChI: 1S/C8H6O4.C8H4O3.C6H10O4.C5H12O2.C4H2O3.C3H8O2/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;7-5(8)3-1-2-4-6(9)10;1-5(2,3-6)4-7;5-3-1-2-4(6)7-3;1-3(5)2-4/h1-4H,(H,9,10)(H,11,12);1-4H;1-4H2,(H,7,8)(H,9,10);6-7H,3-4H2,1-2H3;1-2H;3-5H,2H2,1H3
• InChIKey: HPAXAKAJVFSTOL-UHFFFAOYSA-N

Properties

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