1,3-Benzenedicarboxylic Acid, Polymer With Dimethyl 1,4-Cyclohexanedicarboxylate, 2,2-Dimethyl-1,3-Propanediol, 2-Ethyl-2-(Hydroxymethyl)-1,3-Propanediol, 2,5-Furandione And 1,3-Isobenzofurandione
[CAS# 67874-87-7]

Identification

• Name: 1,3-Benzenedicarboxylic Acid, Polymer With Dimethyl 1,4-Cyclohexanedicarboxylate, 2,2-Dimethyl-1,3-Propanediol, 2-Ethyl-2-(Hydroxymethyl)-1,3-Propanediol, 2,5-Furandione And 1,3-Isobenzofurandione
• Synonyms: Dimethyl Cyclohexane-1,4-Dicarboxylate; 2,2-Dimethylpropane-1,3-Diol; 2-Ethyl-2-(Hydroxymethyl)Propane-1,3-Diol; Furan-2,5-Dione; Isobenzofuran-1,3-Dione; Isophthalic Acid
• Molecular Formula: C₄₁H₅₄O₁₉
• Molecular Weight: 850.87
• CAS Registry Number: 67874-87-7
• SMILES: C1=CC(OC1=O)=O.C(CO)(CO)(C)C.C2=CC=CC3=C2C(OC3=O)=O.COC(=O)C4CCC(CC4)C(OC)=O.C5=C(C=CC=C5C(=O)O)C(=O)O.C(O)C(CO)(CO)CC
• InChI: 1S/C10H16O4.C8H6O4.C8H4O3.C6H14O3.C5H12O2.C4H2O3/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2;9-7(10)5-2-1-3-6(4-5)8(11)12;9-7-5-3-1-2-4-6(5)8(10)11-7;1-2-6(3-7,4-8)5-9;1-5(2,3-6)4-7;5-3-1-2-4(6)7-3/h7-8H,3-6H2,1-2H3;1-4H,(H,9,10)(H,11,12);1-4H;7-9H,2-5H2,1H3;6-7H,3-4H2,1-2H3;1-2H
• InChIKey: XDJLABJNOLQLRH-UHFFFAOYSA-N

Properties

• Boiling point: 263.5°C at 760 mmHg (Cal.)
• Flash point: 115.4°C (Cal.)