Neopentyl Glycol, Cyclohexane-1,4-Dimethanol, Trimellitic Anhydride, Terephthalic Acid, 3-Hydroxy-2,2-Dimethylpropyl 3-Hydroxy-2,2-Dimethylpropanoate, Isophthalic Acid Polymer
[CAS# 68922-25-8]

Identification

• Name: Neopentyl Glycol, Cyclohexane-1,4-Dimethanol, Trimellitic Anhydride, Terephthalic Acid, 3-Hydroxy-2,2-Dimethylpropyl 3-Hydroxy-2,2-Dimethylpropanoate, Isophthalic Acid Polymer
• Synonyms: 2,2-Dimethylpropane-1,3-Diol; 1,3-Dioxoisobenzofuran-5-Carboxylic Acid; (3-Hydroxy-2,2-Dimethyl-Propyl) 3-Hydroxy-2,2-Dimethyl-Propanoate; [4-(Hydroxymethyl)Cyclohexyl]Methanol; Isophthalic Acid; Terephthalic Acid
• Molecular Formula: C₄₈H₆₄O₂₁
• Molecular Weight: 977.02
• CAS Registry Number: 68922-25-8
• SMILES: C1(CCC(CC1)CO)CO.C(CO)(CO)(C)C.C2=C(C=CC3=C2C(OC3=O)=O)C(=O)O.C(OC(=O)C(CO)(C)C)C(CO)(C)C.C4=C(C=CC=C4C(=O)O)C(=O)O.O=C(O)C5=CC=C(C=C5)C(=O)O
• InChI: 1S/C10H20O4.C9H4O5.2C8H6O4.C8H16O2.C5H12O2/c1-9(2,5-11)7-14-8(13)10(3,4)6-12;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;9-7(10)5-2-1-3-6(4-5)8(11)12;9-5-7-1-2-8(6-10)4-3-7;1-5(2,3-6)4-7/h11-12H,5-7H2,1-4H3;1-3H,(H,10,11);2*1-4H,(H,9,10)(H,11,12);7-10H,1-6H2;6-7H,3-4H2,1-2H3
• InChIKey: QBIAVLRBKKYZTR-UHFFFAOYSA-N

Properties

• Boiling point: 289.8°C at 760 mmHg (Cal.)
• Flash point: 103.2°C (Cal.)