1,4-Benzenedicarboxylic Acid, Polymer With 1,4-Cyclohexanedimethanol, 1,3-Dihydro-1,3-Dioxo-5-Isobenzofurancarboxylic Acid, 2,2-Dimethyl-1,3-Propanediol And 12-Hydroxyoctadecanoic Acid
[CAS# 70833-61-3]

Identification

• Name: 1,4-Benzenedicarboxylic Acid, Polymer With 1,4-Cyclohexanedimethanol, 1,3-Dihydro-1,3-Dioxo-5-Isobenzofurancarboxylic Acid, 2,2-Dimethyl-1,3-Propanediol And 12-Hydroxyoctadecanoic Acid
• Synonyms: 2,2-Dimethylpropane-1,3-Diol; 1,3-Dioxoisobenzofuran-5-Carboxylic Acid; [4-(Hydroxymethyl)Cyclohexyl]Methanol; 12-Hydroxyoctadecanoic Acid; Terephthalic Acid; 2,2-Dimethylpropane-1,3-Diol
• Molecular Formula: C₄₈H₇₄O₁₆
• Molecular Weight: 907.10
• CAS Registry Number: 70833-61-3
• SMILES: C1=C(C=CC2=C1C(OC2=O)=O)C(=O)O.C3=C(C=CC(=C3)C(=O)O)C(=O)O.C(O)C4CCC(CC4)CO.C(O)C(CO)(C)C.C(C(O)CCCCCC)CCCCCCCCCC(=O)O
• InChI: 1S/C18H36O3.C9H4O5.C8H6O4.C8H16O2.C5H12O2/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;10-7(11)4-1-2-5-6(3-4)9(13)14-8(5)12;9-7(10)5-1-2-6(4-3-5)8(11)12;9-5-7-1-2-8(6-10)4-3-7;1-5(2,3-6)4-7/h17,19H,2-16H2,1H3,(H,20,21);1-3H,(H,10,11);1-4H,(H,9,10)(H,11,12);7-10H,1-6H2;6-7H,3-4H2,1-2H3
• InChIKey: IXJXFHACEVMENM-UHFFFAOYSA-N

Properties

• Boiling point: 436.3°C at 760 mmHg (Cal.)
• Flash point: 231.8°C (Cal.)