1,3-Benzenedicarboxylic Acid, Polymer With 2-Ethyl-2-(Hydroxymethyl)-1,3-Propanediol, Hexanedioic Acid And 2,2,4-Trimethyl-1,3-Pentanediol, Benzoate
[CAS# 68647-13-2]

Identification

• Name: 1,3-Benzenedicarboxylic Acid, Polymer With 2-Ethyl-2-(Hydroxymethyl)-1,3-Propanediol, Hexanedioic Acid And 2,2,4-Trimethyl-1,3-Pentanediol, Benzoate
• Synonyms: Adipic Acid; Benzoic Acid; 2-Ethyl-2-(Hydroxymethyl)Propane-1,3-Diol; Isophthalic Acid; 2,2,4-Trimethylpentane-1,3-Diol; Adipic Acid
• Molecular Formula: C₃₅H₅₄O₁₅
• Molecular Weight: 714.80
• CAS Registry Number: 68647-13-2
• SMILES: C(O)C(C(O)C(C)C)(C)C.C1=C(C=CC=C1C(=O)O)C(=O)O.C(O)C(CO)(CO)CC.O=C(O)C2=CC=CC=C2.C(C(=O)O)CCCC(=O)O
• InChI: 1S/C8H6O4.C8H18O2.C7H6O2.C6H10O4.C6H14O3/c9-7(10)5-2-1-3-6(4-5)8(11)12;1-6(2)7(10)8(3,4)5-9;8-7(9)6-4-2-1-3-5-6;7-5(8)3-1-2-4-6(9)10;1-2-6(3-7,4-8)5-9/h1-4H,(H,9,10)(H,11,12);6-7,9-10H,5H2,1-4H3;1-5H,(H,8,9);1-4H2,(H,7,8)(H,9,10);7-9H,2-5H2,1H3
• InChIKey: ZPMGGZRDCQDNFF-UHFFFAOYSA-N

Properties

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