3-Methylbutyl Hydrogen 2-Butenedioate
[CAS# 93858-95-8]

Identification

• Name: 3-Methylbutyl Hydrogen 2-Butenedioate
• Synonyms: (E)-4-(3-Methylbutoxy)-4-Oxobut-2-Enoic Acid; 4-Isopentyloxy-4-Oxo-But-2-Enoic Acid; (E)-4-Isopentyloxy-4-Oxo-But-2-Enoic Acid
• Molecular Formula: C₉H₁₄O₄
• Molecular Weight: 186.21
• CAS Registry Number: 93858-95-8
• EINECS: 299-330-8
• SMILES: C(C(C)C)COC(=O)\C=C\C(O)=O
• InChI: 1S/C9H14O4/c1-7(2)5-6-13-9(12)4-3-8(10)11/h3-4,7H,5-6H2,1-2H3,(H,10,11)/b4-3+
• InChIKey: BLXAXLZLJUWIGB-ONEGZZNKSA-N

Properties

• Density: 1.101g/cm³ (Cal.)
• Boiling point: 296.603°C at 760 mmHg (Cal.)
• Flash point: 113.165°C (Cal.)