1,3-Isobenzofurandione, Polymer With 2,2-Bis(Hydroxymethyl)-1,3-Propanediol, 2-Butenoate (Z,Z)-9,12-Octadecadienoate
[CAS# 68855-15-2]

Identification

• Name: 1,3-Isobenzofurandione, Polymer With 2,2-Bis(Hydroxymethyl)-1,3-Propanediol, 2-Butenoate (Z,Z)-9,12-Octadecadienoate
• Synonyms: 2,2-Bis(Hydroxymethyl)Propane-1,3-Diol; (E)-But-2-Enoic Acid; Isobenzofuran-1,3-Dione; (9E,12E)-Octadeca-9,12-Dienoic Acid; (E)-But-2-Enoic Acid; 2,2-Dimethylolpropane-1,3-Diol
• Molecular Formula: C₃₅H₅₄O₁₁
• Molecular Weight: 650.81
• CAS Registry Number: 68855-15-2
• SMILES: C1=CC=CC2=C1C(OC2=O)=O.C(O)C(CO)(CO)CO.C(C(=O)O)CCCCCC\C=C\C\C=C\CCCCC.O=C(O)\C=C\C
• InChI: 1S/C18H32O2.C8H4O3.C5H12O4.C4H6O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;9-7-5-3-1-2-4-6(5)8(10)11-7;6-1-5(2-7,3-8)4-9;1-2-3-4(5)6/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);1-4H;6-9H,1-4H2;2-3H,1H3,(H,5,6)/b7-6+,10-9+;;;3-2+
• InChIKey: NUJJNTQXMRWXEC-JHVVEMPSSA-N

Properties

• Boiling point: 360.6°C at 760 mmHg (Cal.)
• Flash point: 273°C (Cal.)