(Z)-4-Oxo-4-(3,5,5-Trimethylhexoxy)But-2-Enoic Acid
[CAS# 24429-25-2]

Identification

• Name: (Z)-4-Oxo-4-(3,5,5-Trimethylhexoxy)But-2-Enoic Acid
• Synonyms: 3,5,5-trimethylhexyl hydrogen maleate
• Molecular Formula: C₁₃H₂₂O₄
• Molecular Weight: 242.31
• CAS Registry Number: 24429-25-2
• EINECS: 246-244-3
• SMILES: CC(C)(C)CC(C)CCOC(=O)\C=C/C(O)=O
• InChI: 1S/C13H22O4/c1-10(9-13(2,3)4)7-8-17-12(16)6-5-11(14)15/h5-6,10H,7-9H2,1-4H3,(H,14,15)/b6-5-
• InChIKey: NJAFJJJFZZALPC-WAYWQWQTSA-N

Properties

• Density: 1.03g/cm³ (Cal.)
• Boiling point: 345.717°C at 760 mmHg (Cal.)
• Flash point: 120.988°C (Cal.)
• Refractive index: 1.469 (Cal.)