Disodium (Z,E)-(.+-)-4-(3,7-Dimethyloctylidene)-3-Methylpent-2-En-1,5-Dioate
[CAS# 68516-33-6]

Identification

• Name: Disodium (Z,E)-(.+-)-4-(3,7-Dimethyloctylidene)-3-Methylpent-2-En-1,5-Dioate
• Synonyms: Disodium (E,4Z)-4-(3,7-Dimethyloctylidene)-3-Methyl-Pent-2-Enedioate; 2-Pentenedioic Acid, 4-(3,7-Dimethyloctylidene)-3-Methyl-, Disodiumsalt, (2Z,4E)-
• Molecular Formula: C₁₆H₂₄Na₂O₄
• Molecular Weight: 326.34
• CAS Registry Number: 68516-33-6
• EINECS: 271-147-8
• SMILES: C(/C=C(/C(=C/C([O-])=O)C)C([O-])=O)C(CCCC(C)C)C.[Na+].[Na+]
• InChI: 1S/C16H26O4.2Na/c1-11(2)6-5-7-12(3)8-9-14(16(19)20)13(4)10-15(17)18;;/h9-12H,5-8H2,1-4H3,(H,17,18)(H,19,20);;/q;2*+1/p-2/b13-10+,14-9-
• InChIKey: IVSXGLGETOEVMY-FYNSKERWSA-L

Properties

• Boiling point: 443.1°C at 760 mmHg (Cal.)
• Flash point: 235.9°C (Cal.)