1,3-Benzenedicarboxylic Acid, Polymer With Benzoic Acid, 2-Ethyl-2-(Hydroxymethyl)-1,3-Propanediol, Hexanedioic Acid And 1,5-Pentanediol
[CAS# 68856-22-4]

Identification

• Name: 1,3-Benzenedicarboxylic Acid, Polymer With Benzoic Acid, 2-Ethyl-2-(Hydroxymethyl)-1,3-Propanediol, Hexanedioic Acid And 1,5-Pentanediol
• Synonyms: Adipic Acid; 2,2-Bis(Hydroxymethyl)Butyl Benzoate; Isophthalic Acid; Pentane-1,5-Diol; Adipic Acid; Benzoic Acid 2,2-Bis(Hydroxymethyl)Butyl Ester
• Molecular Formula: C₃₂H₄₆O₁₄
• Molecular Weight: 654.71
• CAS Registry Number: 68856-22-4
• SMILES: C1=C(C(OCC(CO)(CO)CC)=O)C=CC=C1.C2=C(C=CC=C2C(=O)O)C(=O)O.C(C(=O)O)CCCC(=O)O.C(CCO)CCO
• InChI: 1S/C13H18O4.C8H6O4.C6H10O4.C5H12O2/c1-2-13(8-14,9-15)10-17-12(16)11-6-4-3-5-7-11;9-7(10)5-2-1-3-6(4-5)8(11)12;7-5(8)3-1-2-4-6(9)10;6-4-2-1-3-5-7/h3-7,14-15H,2,8-10H2,1H3;1-4H,(H,9,10)(H,11,12);1-4H2,(H,7,8)(H,9,10);6-7H,1-5H2
• InChIKey: IYBFQBQZCAOOFM-UHFFFAOYSA-N

Properties

• Boiling point: 400.4°C at 760 mmHg (Cal.)
• Flash point: 149.9°C (Cal.)