1,3-Benzenedicarboxylic Acid, Polymer With 2,2-Dimethyl-1,3-Propanediol, Hexanedioic Acid, 2-(Hydroxymethyl)-2-Methyl-1,3-Propanediol And 1,3-Isobenzofurandione
[CAS# 67815-72-9]

Identification

• Name: 1,3-Benzenedicarboxylic Acid, Polymer With 2,2-Dimethyl-1,3-Propanediol, Hexanedioic Acid, 2-(Hydroxymethyl)-2-Methyl-1,3-Propanediol And 1,3-Isobenzofurandione
• Synonyms: Adipic Acid; 2,2-Dimethylpropane-1,3-Diol; 2-(Hydroxymethyl)-2-Methyl-Propane-1,3-Diol; Isobenzofuran-1,3-Dione; Isophthalic Acid; Adipic Acid
• Molecular Formula: C₃₂H₄₄O₁₆
• Molecular Weight: 684.69
• CAS Registry Number: 67815-72-9
• SMILES: C1=CC=CC2=C1C(OC2=O)=O.C3=C(C=CC=C3C(=O)O)C(=O)O.C(O)C(CO)(CO)C.C(O)C(CO)(C)C.C(C(=O)O)CCCC(=O)O
• InChI: 1S/C8H6O4.C8H4O3.C6H10O4.C5H12O3.C5H12O2/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(2-6,3-7)4-8;1-5(2,3-6)4-7/h1-4H,(H,9,10)(H,11,12);1-4H;1-4H2,(H,7,8)(H,9,10);6-8H,2-4H2,1H3;6-7H,3-4H2,1-2H3
• InChIKey: NXTWYXAQNGWGRJ-UHFFFAOYSA-N

Properties

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