Sodium Isobutyl 2-Butenedioate
[CAS# 85099-22-5]

Identification

• Name: Sodium Isobutyl 2-Butenedioate
• Synonyms: Sodium (E)-4-Isobutoxy-4-Oxo-But-2-Enoate; Sodium (E)-4-Isobutoxy-4-Oxobut-2-Enoate; Sodium (E)-4-Isobutoxy-4-Keto-But-2-Enoate
• Molecular Formula: C₈H₁₁NaO₄
• Molecular Weight: 194.16
• CAS Registry Number: 85099-22-5
• EINECS: 285-477-5
• SMILES: C(OC(=O)\C=C\C([O-])=O)C(C)C.[Na+]
• InChI: 1S/C8H12O4.Na/c1-6(2)5-12-8(11)4-3-7(9)10;/h3-4,6H,5H2,1-2H3,(H,9,10);/q;+1/p-1/b4-3+
• InChIKey: NOPQDTLCPQHNRM-BJILWQEISA-M

Properties

• Boiling point: 281.4°C at 760 mmHg (Cal.)
• Flash point: 110°C (Cal.)